SCHEMBL3676731

SCHEMBL3676731

CC(C)(O)C(=O)c1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CYP2A6 P11509 4/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
TYR P14679 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2A13 Q16696 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CA2 P00918 1/20 0.37
MLYCD O95822 1/20 0.37
ALDH1A3 P47895 2/20 0.36
ALDH3A1 P30838 1/20 0.36

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
SCHEMBL9359052 0.85 ALDH1A1 (0.56) ALDH1A1EPHX2NR1H4CYP2A6PARP10
SCHEMBL3979952 0.85 CA2 (0.38) ALDH1A1EPHX2NR1H4HSD17B10CA2
SCHEMBL11298330 0.84 CA2 (0.46) ALDH1A1CA2MLYCD
SCHEMBL803878 0.82 ALDH1A1 (0.44) ALDH1A1ALDH5A1ABATADRB2ADRB1
SCHEMBL24497449 0.80 ALDH1A1 (0.50) ALDH1A1EPHX2NR1H4CYP2A6PARP10
SCHEMBL6257475 0.80 TP53 (0.39) ALDH1A1TYRKDM4EHSD17B10CA2
SCHEMBL13268125 0.79 ALDH1A1 (0.48) ALDH1A1EPHX2NR1H4CYP2A6PARP10
SCHEMBL4419639 0.78 ALDH1A1 (0.50) ALDH1A1CA2
SCHEMBL15251658 0.78 RXRA (0.44) CA2MLYCD
SCHEMBL10943093 0.78 CES2 (0.50) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790338-B2 Ion exchange membrane and method for manufacturing the same FUJIFILM CORPORATION (JP) 2017-10-17 US disclosed
US-20160362526-A1 ION EXCHANGE MEMBRANE AND METHOD FOR MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2016-12-15 US disclosed
US-20160001238-A1 POLYMER FUNCTIONAL FILM AND METHOD FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2016-01-07 US disclosed
US-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
CN-100548955-C photoinitiator CIBA SC HOLDING AG (CH) 2009-10-14 CN disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
CN-1942424-A Novel photoinitiators CIBA SC HOLDING AG (CH) 2007-04-04 CN disclosed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed