SCHEMBL7723055

SCHEMBL7723055

O=C(OCC1CO1)C1CCCCC1(C(=O)OCC1CO1)C(=O)OCC1CO1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
MGLL Q99685 2/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL28167487 0.85 TP53 (0.51) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL6066163 0.83 TP53 (0.53) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL7728256 0.83 TP53 (0.53) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL27383021 0.77 TP53 (0.53) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL352426 0.77 TP53 (0.46) TP53CYP3A4ALDH1A1
SCHEMBL19034100 0.76 TP53 (0.51) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL10320942 0.76 TP53 (0.44) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL30575200 0.74 TP53 (0.45) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL28949251 0.73 TP53 (0.49) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL471872 0.73 TP53 (0.49) TP53CYP3A4ALDH1A1LMNAPOLB

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-20130274433-A1 POLYFUNCTIONAL EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-17 US disclosed
EP-2641926-A1 POLYFUNCTIONAL EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2013-09-25 EP disclosed
US-6433084-B1 POLYESTER-FREE AUTOMOTIVE LACQUER COMPRISED OF A POLY(METH)ACRYLIC RESIN AND HARDENED WITH A POLYGLYCIDYL POLYCARBOXYLATE; LOW FLOW TEMPERATURE; GOOD WEATHERFASTNESS VANTICO INC. 2002-08-13 US disclosed
US-6265487-B1 Powder coating of carboxyl-containing poly(meth)acrylic resin and trans(cis)-diglycidyl 1,4-cyclohexanedicarboxylate VANTICO, INC. 2001-07-24 US disclosed