SCHEMBL466067

SCHEMBL466067

C/C(=C\OCC1CO1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
MGLL Q99685 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL466068 1.00 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4TSHRMAPK1
Alcohol SCHEMBL28770112 0.95 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL4628925 0.87 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL7850674 0.85 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL27923994 0.84 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL28972581 0.84 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28018577 0.82 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4TSHRMAPK1
Fluorene SCHEMBL28323650 0.82 MGLL (0.38) MGLL
SCHEMBL10455421 0.81 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4TSHRMGLL
SCHEMBL1270657 0.81 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268757-B1 ADHESIVE MERCK PATENT GMBH (DE) 2012-01-18 EP disclosed
EP-2268757-A1 ADHESIVE Merck Patent GmbH (DE) 2011-01-05 EP disclosed
WO-2009129923-A1 ADHESIVE MERCK PATENT GMBH (DE) 2009-10-29 WO disclosed
US-6288208-B1 POLYAMIDE DENDRIMERS; EPOXY HARDENERS EPOX, LTD. (IL) 2001-09-11 US disclosed
EP-1121386-A1 HIGHLY BRANCHED OLIGOMERS, PROCESS FOR THEIR PREPARATION AND APPLICATIONS THEREOF Epox Ltd. (IL) 2001-08-08 EP disclosed
WO-2000022030-A1 HIGHLY BRANCHED OLIGOMERS, PROCESS FOR THEIR PREPARATION AND APPLICATIONS THEREOF EPOX LTD. (IL) 2000-04-20 WO disclosed