SCHEMBL2229013

SCHEMBL2229013

C=C(C)C(=O)OC.C=C(CC=C(C)C(=O)O)C(=O)OC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
EPHX1 P07099 2/20 0.35
NAAA Q02083 1/20 0.31
HTT P42858 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
SCHEMBL3166258 0.92 EPHX1 (0.37) EPHX1NAAAHTT
SCHEMBL4484407 0.86 ALDH1A1 (0.33) ALDH1A1EPHX1
SCHEMBL295216 0.85 CD81 (0.31) ALDH1A1
SCHEMBL1813995 0.82 ALDH1A1 (0.52) ALDH1A1
SCHEMBL8431539 0.82 ALDH1A1 (0.52) ALDH1A1
Styrene SCHEMBL209794 0.80 AKR1C3 (0.35) ALDH1A1
SCHEMBL1171643 0.79 ALDH1A1 (0.52) ALDH1A1
SCHEMBL974950 0.79 ALDH1A1 (0.56) ALDH1A1EPHX1NAAAHTT
SCHEMBL2059955 0.79 ALDH1A1 (0.56) ALDH1A1EPHX1NAAAHTT
SCHEMBL867521 0.78 TSHR (0.38) ALDH1A1

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-10358582-B2 Marking film 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-07-23 US disclosed
CN-102762642-B Marking film 3M INNOVATIVE PROPERTIES CO 2015-06-17 CN disclosed
US-20130004766-A1 MARKING FILM 3M INNOVATIVE PROPERTIES COMPANY 2013-01-03 US disclosed
EP-2523995-A2 MARKING FILM 3M Innovative Properties Company (US) 2012-11-21 EP disclosed
WO-2011088096-A2 MARKING FILM 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-07-21 WO disclosed