SCHEMBL2619166

SCHEMBL2619166

C=C(C)C(=O)OC(CCC(C)(O)C(F)(F)F)CCC(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30

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
SCHEMBL2631404 0.93 TSHR (0.34) TSHR
SCHEMBL13202655 0.83 TSHR (0.33) TSHR
SCHEMBL2619170 0.79 TSHR (0.30) TSHR
SCHEMBL13012090 0.78 TSHR (0.36) TSHR
SCHEMBL13006208 0.77 TSHR (0.36) TSHR
SCHEMBL9610672 0.75 TSHR (0.33) TSHR
SCHEMBL25962728 0.75 TSHR (0.33) TSHR
SCHEMBL15836505 0.74 ALDH1A1 (0.36) TSHR
SCHEMBL15962399 0.74 ALDH1A1 (0.33) TSHR
SCHEMBL15836497 0.74 ALDH1A1 (0.33) TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530692-B2 Compound, fluorine-containing polymer, radiation-sensitive resin composition and method for producing compound JSR CORPORATION (JP) 2013-09-10 US disclosed
US-20120100480-A1 COMPOUND, FLUORINE-CONTAINING POLYMER, RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD FOR PRODUCING COMPOUND JSR CORPORATION (JP) 2012-04-26 US 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 (1 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-20120100480-A1 COMPOUND, FLUORINE-CONTAINING POLYMER, RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD FOR PRODUCING COMPOUND RER1, AFF1, FPR1 TSHR 2293/4885

“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.