SCHEMBL9862098

SCHEMBL9862098

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

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL10498331 0.89 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9847962 0.82 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2774388 0.79
SCHEMBL7683847 0.77
SCHEMBL28487610 0.76
SCHEMBL3382918 0.73
SCHEMBL10455044 0.70 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10784935 0.69
SCHEMBL5597022 0.69 ALDH1A1 (0.40) ALDH1A1
SCHEMBL10453977 0.69

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-0423767-A2 Thermoplastic resin composition and method for preparing the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-04-24 EP disclosed