SCHEMBL3671949

SCHEMBL3671949

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
KMT2A Q03164 1/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GSK3B P49841 1/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
PLK1 P53350 1/20 0.34
LMNA P02545 1/20 0.34
MLYCD O95822 2/20 0.34
EPHX2 P34913 5/20 0.34
NR1H4 Q96RI1 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL2574286 0.88 CES2 (0.52) CES2CES1KMT2ATHRATHRB
SCHEMBL3670856 0.86 CES2 (0.50) CES2CES1KMT2ATHRATHRB
SCHEMBL4418249 0.85 KMT2A (0.56) KMT2ATHRATHRBALDH1A1HDAC6
SCHEMBL3974638 0.84 KMT2A (0.49) CES2CES1KMT2ATHRATHRB
SCHEMBL6687329 0.83 ALDH1A1 (0.57) ALDH1A1PLK1LMNA
SCHEMBL7495525 0.82 IDO1 (0.41) CES2CES1KMT2ATHRATHRB
SCHEMBL11817087 0.81 CES2 (0.46) CES2CES1KMT2ATHRATHRB
SCHEMBL3976359 0.80 NR1H4 (0.51) ALDH1A1TSHRLMNAEPHX2NR1H4
SCHEMBL16880390 0.79 CES1 (0.54) CES2CES1MLYCD
SCHEMBL13175610 0.79 ALDH1A1 (0.52) ALDH1A1PLK1

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-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
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
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
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US 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
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP 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