SCHEMBL27415867

SCHEMBL27415867

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL27534795 0.90 TSHR (0.46) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL27415868 0.86 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL544590 0.85 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL153584 0.80 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL8961961 0.80 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL8962107 0.79 TSHR (0.44) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL27813096 0.79 TSHR (0.40) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL8961983 0.79 TSHR (0.40) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL1507509 0.79 TSHR (0.40) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL13924332 0.77 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1277856-C Cement admixture and cement composition NIPPON CATALYTIC CHEM IND (JP) 2006-10-04 CN disclosed
CN-1093097-C Cement additive NIPPON CATALYTIC CHEM IND (JP) 2002-10-23 CN disclosed
CN-1252394-A Cement additive NIPPON CATALYTIC CHEM IND (JP) 2000-05-10 CN disclosed
CN-1201766-A Cement admixture and cement composition NIPPON CATALYTIC CHEM IND (JP) 1998-12-16 CN disclosed