SCHEMBL8744854

SCHEMBL8744854

C=C(C)C(=O)OC(C)C[C](CC(C)OC(=O)C(=C)C)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 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
SCHEMBL2349785 0.82 TSHR (0.47) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL6365126 0.80 TSHR (0.45) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL5627412 0.78 TSHR (0.44) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL2540758 0.77 TSHR (0.50) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL2544205 0.77 TSHR (0.50) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL18059980 0.77 TSHR (0.42) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL4275495 0.76 TSHR (0.45) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL4135033 0.76 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL28600913 0.76 TSHR (0.41) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL377956 0.75 TSHR (0.48) TSHRALDH1A1THRBCHRM2CHRM4

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
EP-0754736-A1 HARDENABLE COATING RESIN COMPOSITION, COATED MATERIALS AND CONTAINERS, AND PROCESS FOR PRODUCING THEM MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-01-22 EP disclosed
EP-0100688-A2 Curable coating composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-02-15 EP disclosed