SCHEMBL12697221

SCHEMBL12697221

O=C(CC(C(=O)OCC1CO1)C(CC(=O)OCC1CO1)C(=O)OCC1CO1)OCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MGLL Q99685 4/20 0.43
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL15268254 1.00 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLLMNA
SCHEMBL729485 0.85 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLLMNA
SCHEMBL204985 0.83 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4MGLLLMNA
SCHEMBL14256247 0.81 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4MGLLLMNA
SCHEMBL25417475 0.80 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MGLLLMNA
SCHEMBL20760836 0.79 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4MGLLLMNA
SCHEMBL8849267 0.79 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4MGLL
SCHEMBL8849377 0.79 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MGLL
SCHEMBL29897140 0.78 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MGLL
SCHEMBL15316322 0.78 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4

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-2012128325-A1 POLYFUNCTIONAL EPOXY COMPOUND 日産化学工業株式会社 (JP) 2012-09-27 WO disclosed