SCHEMBL18031880

SCHEMBL18031880

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 3/20 0.32
THRB P10828 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
SCHEMBL18031875 0.89 ALDH1A1 (0.34) ALDH1A1TSHRTHRB
SCHEMBL17947361 0.71 ALDH1A1 (0.34) ALDH1A1TSHRTHRB
SCHEMBL5176405 0.71 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL9860832 0.69 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL1230538 0.68 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL29018347 0.68 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL14119731 0.67 ALDH1A1 (0.37) ALDH1A1TSHRTHRB
SCHEMBL7093353 0.67 ALDH1A1 (0.37) ALDH1A1TSHRTHRB
SCHEMBL543869 0.67 TSHR (0.40) ALDH1A1TSHRTHRB
SCHEMBL8551289 0.66 ALDH1A1 (0.44) ALDH1A1TSHRTHRB

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