SCHEMBL950830

SCHEMBL950830

CC(C)C(O)C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12868505 1.00 TRPA1 (0.31) TRPA1
SCHEMBL10290149 1.00 TRPA1 (0.31) TRPA1
SCHEMBL801016 0.75
SCHEMBL801057 0.75
SCHEMBL12886174 0.75 ALDH1A1 (0.32)
SCHEMBL801058 0.75
SCHEMBL12886177 0.75 ALDH1A1 (0.32)
SCHEMBL12886170 0.75 ALDH1A1 (0.32)
SCHEMBL10297559 0.74
SCHEMBL7128934 0.74

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791288-B2 Acid-labile ester monomer having spirocyclic structure, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-8791288-B2 Acid-labile ester monomer having spirocyclic structure, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1829850-B1 Method for the preparation of fluorinated monomers SHINETSU CHEMICAL CO (JP) 2012-05-16 EP disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7868199-B2 fluoro (meth)acrylate or unsaturated polycyclic ester monomer as radiation-sensitive resist compositions; good development characteristics; high resolution and an anti-swelling effect; low cost production; precise micropatterning EUDYNA DEVICES INC. (JP) 2011-01-11 US disclosed
EP-2070901-A1 Fluoroalcohol preparation method, fluorinated monomer, polymer, resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-06-17 EP disclosed
EP-2070901-A1 Fluoroalcohol preparation method, fluorinated monomer, polymer, resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-06-17 EP disclosed
EP-1829850-A2 Fluoroalcohol preparation method, fluorinated monomer, polymer, resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2007-09-05 EP disclosed
EP-1829850-A2 Fluoroalcohol preparation method, fluorinated monomer, polymer, resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2007-09-05 EP disclosed
US-20070179309-A1 fluoro (meth)acrylate or unsaturated polycyclic ester monomer as radiation-sensitive resist compositions; good development characteristics; high resolution and an anti-swelling effect; low cost production; precise micropatterning SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20070179309-A1 fluoro (meth)acrylate or unsaturated polycyclic ester monomer as radiation-sensitive resist compositions; good development characteristics; high resolution and an anti-swelling effect; low cost production; precise micropatterning SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20070179309-A1 fluoro (meth)acrylate or unsaturated polycyclic ester monomer as radiation-sensitive resist compositions; good development characteristics; high resolution and an anti-swelling effect; low cost production; precise micropatterning SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPA1 3080/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPA1 3080/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPA1 3080/4885
US-20070179309-A1 fluoro (meth)acrylate or unsaturated polycyclic ester monomer as radiation-sensitive resist compositions; good development characteristics; high resolution and an anti-swelling effect; low cost production; precise micropatterning AFF1, FASN, FAR1 TRPA1 1522/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.