SCHEMBL9847962

SCHEMBL9847962

C=C(OOC(C)(C)CC)C(=O)OOC(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SOAT1 P35610 1/20 0.35
TSHR P16473 1/20 0.33

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
SCHEMBL5597022 0.87 ALDH1A1 (0.40) ALDH1A1SOAT1TSHR
SCHEMBL9862098 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3382918 0.81
SCHEMBL9239041 0.79 ALDH1A1 (0.33) ALDH1A1SOAT1
SCHEMBL10784935 0.77
SCHEMBL9862034 0.76 MAPK1 (0.41) ALDH1A1TSHR
SCHEMBL28453569 0.75 ALDH1A1 (0.46) ALDH1A1SOAT1TSHR
SCHEMBL9847948 0.74 ALDH1A1 (0.34) ALDH1A1SOAT1
SCHEMBL10595398 0.73
SCHEMBL9847975 0.72

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
EP-0422229-A1 ADHESIVE RESIN COMPOSITION, PREPARATION THEREOF, AND LAMINATE COMPRISING SAME NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-04-17 EP disclosed