SCHEMBL3675419

SCHEMBL3675419

[CH2]c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
MLYCD O95822 6/20 0.35
SRC P12931 1/20 0.34
HDAC1 Q13547 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
SRD5A2 P31213 1/20 0.32
CES1 P23141 2/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
ELANE P08246 1/20 0.31
LMNA P02545 1/20 0.31
CES2 O00748 1/20 0.31
FASN P49327 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29207344 0.94 FASN (0.38) CA2MLYCDFASNSMN1; SMN2
SCHEMBL11298330 0.88 CA2 (0.46) CA2MLYCDSRCHDAC1SRD5A2
SCHEMBL3027046 0.84 PGR (0.41) CA2MLYCDHDAC1THRATHRB
SCHEMBL4419639 0.81 ALDH1A1 (0.50) CA2SRD5A2ALDH1A1ELANELMNA
SCHEMBL15251658 0.81 RXRA (0.44) CA2MLYCDFASNSMN1; SMN2
SCHEMBL10943093 0.81 CES2 (0.50) CA2CES1CES2
SCHEMBL263176 0.80 CA2 (0.42) CA2MLYCDSRCHDAC1CES1
SCHEMBL14845141 0.79 TSHR (0.57) CA2SRD5A2CES1ALDH1A1TSHR
SCHEMBL10701118 0.79 CA2 (0.41) CA2MLYCDSRCHDAC1SRD5A2
SCHEMBL129749 0.79 ESR1 (0.50) CA2SRD5A2TSHRELANELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1784429-B Novel trifunctional photoinitiators CIBA SC HOLDING AG 2010-06-02 CN claimed
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 claimed
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP claimed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US claimed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP claimed
CN-1942424-A Novel photoinitiators CIBA SC HOLDING AG (CH) 2007-04-04 CN claimed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP claimed
CN-1784429-A Novel trifunctional photoinitiators CIBA SC HOLDING AG (CH) 2006-06-07 CN claimed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO claimed
CN-1784429-B Novel trifunctional photoinitiators CIBA SC HOLDING AG 2010-06-02 CN 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
CN-1784429-A Novel trifunctional photoinitiators CIBA SC HOLDING AG (CH) 2006-06-07 CN disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed