SCHEMBL9788309

SCHEMBL9788309

C=CCC(COCC(CC=C)OC(=O)C(=C)C)OC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
PLA2G2C Q5R387 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
SCHEMBL5152027 0.84 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL28531896 0.84 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL8415564 0.82 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL3952800 0.82 TSHR (0.40) TSHRALDH1A1THRBPLA2G2C
SCHEMBL720178 0.81 TSHR (0.41) TSHRALDH1A1THRBPLA2G2C
SCHEMBL5697412 0.81 TSHR (0.35) TSHRALDH1A1THRB
SCHEMBL6688361 0.79 TSHR (0.34) TSHRALDH1A1
SCHEMBL1862658 0.78 TSHR (0.37) TSHR
SCHEMBL13809182 0.77 TSHR (0.36) TSHRALDH1A1THRBPLA2G2C
SCHEMBL6338030 0.77 TSHR (0.47) TSHRALDH1A1THRBPLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017668-A Silane containing acrylate copolymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-05-21 US disclosed