SCHEMBL10498331

SCHEMBL10498331

C=C(OOC(C)(C)C)C(=O)OC(C)OOC(=O)OCC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SOAT1 P35610 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
SCHEMBL9862098 0.89 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5597022 0.81 ALDH1A1 (0.40) ALDH1A1SOAT1
SCHEMBL10455044 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12877866 0.77 ALDH1A1 (0.42) ALDH1A1SOAT1
SCHEMBL464855 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8526432 0.74
SCHEMBL27897713 0.73 ALDH1A1 (0.55) ALDH1A1SOAT1
SCHEMBL7690559 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9847962 0.69 ALDH1A1 (0.38) ALDH1A1SOAT1
SCHEMBL3384792 0.68 TSHR (0.30)

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-0304041-A2 Thermoplastic resin composition. NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-02-22 EP disclosed