SCHEMBL3259337

SCHEMBL3259337

C=CCOOC(CC=C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.39
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
CYP2C19 P33261 1/20 0.35
TSHR P16473 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
SCHEMBL4282143 0.82 TDP1 (0.33)
SCHEMBL3262845 0.82 SMN1; SMN2 (0.34) TSHR
Acetic Acid SCHEMBL11160474 0.79 CPA1 (0.36) CPA1GRIK1GRIK2CYP2C19
SCHEMBL28662464 0.77 TSHR (0.40) TSHR
SCHEMBL11034749 0.76 GRIK1 (0.42) CPA1GRIK1GRIK2CYP2C19
SCHEMBL28631010 0.74 TSHR (0.45) GRIK1GRIK2TSHR
SCHEMBL14780782 0.72
SCHEMBL10901902 0.72
SCHEMBL15234316 0.71 GRIK1 (0.35) CPA1GRIK1GRIK2CYP2C19
Bicarbonate SCHEMBL28747310 0.70 CYP3A4 (0.38) 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
WO-2010016801-A1 MELT-STABLE AND HYDROLYSIS RESISTANT HYDROXY ACID POLYMER HYDROCHEM (S) PTE LTD (SG) 2010-02-11 WO claimed
WO-2010016801-A1 MELT-STABLE AND HYDROLYSIS RESISTANT HYDROXY ACID POLYMER HYDROCHEM (S) PTE LTD (SG) 2010-02-11 WO disclosed