SCHEMBL8361963

SCHEMBL8361963

C=CC(COC(=O)C(=C)C)OC

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.39
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2349030 0.87 TSHR (0.57) TSHRALDH1A1THRB
SCHEMBL7164222 0.82 TDP1 (0.42) TSHRALDH1A1
SCHEMBL15249364 0.77 TSHR (0.64) TSHRALDH1A1THRB
SCHEMBL2168104 0.77 TSHR (0.59) TSHRALDH1A1THRB
SCHEMBL7705030 0.76 MGAM (0.43) TSHRALDH1A1
SCHEMBL10287213 0.76 TSHR (0.63) TSHRALDH1A1THRB
SCHEMBL8005857 0.76 TSHR (0.57) TSHRALDH1A1THRB
SCHEMBL9461692 0.75 TSHR (0.44) TSHRALDH1A1THRBCYP2C19
SCHEMBL1336820 0.75 TSHR (0.73) TSHRALDH1A1THRBCYP2D6CYP2C19
SCHEMBL28920995 0.74 TSHR (0.55) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820478-B1 WATERBORNE POLYMERS HAVING PENDANT ALLYL GROUPS EASTMAN CHEM CO (US) 1999-08-18 EP claimed
US-5869590-A SOLVENT, PRINT AND BLOCK RESISTANCE EASTMAN CHEMICAL COMPANY (US) 1999-02-09 US claimed
EP-0820478-A1 WATERBORNE POLYMERS HAVING PENDANT ALLYL GROUPS EASTMAN CHEMICAL COMPANY (US) 1998-01-28 EP claimed
WO-1996032429-A1 WATERBORNE POLYMERS HAVING PENDANT ALLYL GROUPS EASTMAN CHEMICAL COMPANY (US) 1996-10-17 WO claimed
EP-0820478-B1 WATERBORNE POLYMERS HAVING PENDANT ALLYL GROUPS EASTMAN CHEM CO (US) 1999-08-18 EP disclosed
US-5869590-A SOLVENT, PRINT AND BLOCK RESISTANCE EASTMAN CHEMICAL COMPANY (US) 1999-02-09 US disclosed
EP-0820478-A1 WATERBORNE POLYMERS HAVING PENDANT ALLYL GROUPS EASTMAN CHEMICAL COMPANY (US) 1998-01-28 EP disclosed
WO-1996032429-A1 WATERBORNE POLYMERS HAVING PENDANT ALLYL GROUPS EASTMAN CHEMICAL COMPANY (US) 1996-10-17 WO disclosed