SCHEMBL8577880

SCHEMBL8577880

O=C(OCCCC1CO1)C1CC(C(=O)OCCCC2CO2)CC(C(=O)OCCCC2CO2)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.32
FKBP1A P62942 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
SCHEMBL8578137 0.95 ALDH1A1 (0.38) TP53CYP3A4ALDH1A1TSHR
SCHEMBL15268268 0.89 TP53 (0.39) TP53CYP3A4ALDH1A1TSHR
SCHEMBL15316328 0.87 TP53 (0.46) TP53CYP3A4ALDH1A1TSHR
SCHEMBL8580190 0.85 TP53 (0.46) TP53CYP3A4ALDH1A1TSHRFKBP1A
SCHEMBL15316333 0.85 TP53 (0.39) TP53CYP3A4ALDH1A1TSHRFKBP1A
SCHEMBL15268232 0.85 TP53 (0.39) TP53CYP3A4ALDH1A1TSHRFKBP1A
SCHEMBL15316330 0.81 TP53 (0.44) TP53CYP3A4ALDH1A1TSHRFKBP1A
SCHEMBL15316323 0.81 TP53 (0.41) TP53CYP3A4ALDH1A1
SCHEMBL15101783 0.81 TP53 (0.41) TP53CYP3A4ALDH1A1
SCHEMBL15268269 0.80 TP53 (0.45) TP53CYP3A4ALDH1A1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428606-B2 Polyfunctional epoxy compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-30 US disclosed
US-9428606-B2 Polyfunctional epoxy compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-30 US disclosed
US-20130274433-A1 POLYFUNCTIONAL EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-17 US disclosed
US-20130274433-A1 POLYFUNCTIONAL EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-17 US disclosed
WO-2012067071-A1 POLYFUNCTIONAL EPOXY COMPOUND 日産化学工業株式会社 (JP) 2012-05-24 WO disclosed