SCHEMBL18031875

SCHEMBL18031875

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 4/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
THRB P10828 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL18031880 0.89 ALDH1A1 (0.34) ALDH1A1TSHRTHRB
SCHEMBL1230538 0.76 ALDH1A1 (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL14119731 0.74 ALDH1A1 (0.37) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL18031878 0.74 ALDH1A1 (0.33) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL543869 0.74 TSHR (0.40) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL20629674 0.73 ALDH1A1 (0.39) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL687047 0.71 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL17947361 0.71 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL18689446 0.71 ALDH1A1 (0.31) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL25288793 0.69 TSHR (0.35) ALDH1A1TSHRCYP2D6CYP2C19HIF1A

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
US-20160244640-A1 RADICALLY CURABLE ADHESIVE COMPOSITION AND POLARIZING PLATE INCLUDING THE SAME Shanjin Optoelectronics (Nanjing) Co., Ltd. (CN) 2016-08-25 US disclosed
US-20160244640-A1 RADICALLY CURABLE ADHESIVE COMPOSITION AND POLARIZING PLATE INCLUDING THE SAME Shanjin Optoelectronics (Nanjing) Co., Ltd. (CN) 2016-08-25 US disclosed