SCHEMBL3686005

SCHEMBL3686005

O=C(Cl)C(=O)C(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 12/20 0.62
CES2 O00748 11/20 0.62
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
MAPK1 P28482 2/20 0.44
TRPA1 O75762 1/20 0.44

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
SCHEMBL8912371 0.93 CES1 (0.59) CES1CES2CA12CA1CA2
SCHEMBL8913311 0.91 CES2 (0.56) CES1CES2CA12CA1CA2
SCHEMBL263843 0.84 CES1 (0.68) CES1CES2CA12CA1CA2
SCHEMBL6520575 0.84 CES1 (0.68) CES1CES2CA12CA1CA2
SCHEMBL27737798 0.84 CES2 (0.77) CES1CES2CA12CA1CA2
SCHEMBL61363 0.84 CES2 (0.77) CES1CES2CA12CA1CA2
Water SCHEMBL10351087 0.82 CES1 (0.65) CES1CES2CA12CA1CA2
Benzil SCHEMBL35210470 0.81 CES2 (0.82) CES1CES2CA12CA1CA2
SCHEMBL15658164 0.81 CES2 (0.72) CES1CES2CA12CA1CA2
SCHEMBL15656687 0.81 CES2 (0.72) CES1CES2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817362-B1 Crosslinkable poly(oxyalkylene)-containing polyamide prepolymers NOVARTIS AG (CH) 2010-09-22 EP claimed
EP-0699702-A2 Reaction products of carbonyl compounds and dihydric phenols THE DOW CHEMICAL COMPANY (US) 1996-03-06 EP claimed
US-11920062-B2 Functionalized polymer particles for use as toughening agent CYTEC INDUSTRIES INC. (US) 2024-03-05 US disclosed
EP-3145980-B1 PARTICULATE AMINE-FUNCTIONALIZED POLYARYLETHERKETONE POLYMER AND COPOLYMERS THEREOF CYTEC IND INC (US) 2020-04-08 EP disclosed
EP-3145985-B1 FUNCTIONALIZED POLYMER PARTICLES FOR USE AS TOUGHENING AGENT CYTEC IND INC (US) 2019-07-10 EP disclosed
US-10100144-B2 Method for making particulate amine-functionalized polyaryletherketone polymers and copolymers thereof KETONEX LIMITED (GB) 2018-10-16 US disclosed
EP-3145974-B1 METHOD FOR MAKING PARTICULATE AMINE-FUNCTIONALIZED POLYARYLETHERKETONE POLYMERS AND COPOLYMERS THEREOF KETONEX LTD (GB) 2018-04-25 EP disclosed
US-9683079-B2 Particulate amine-functionalized polyaryletherketone polymer and copolymers thereof KETONEX LIMITED (GB) 2017-06-20 US disclosed
US-20170107323-A1 METHOD FOR MAKING PARTICULATE AMINE-FUNCTIONALIZED POLYARYLETHERKETONE POLYMERS AND COPOLYMERS THEREOF OXFORD PERFORMANCE MATERIALS, INC 2017-04-20 US disclosed
EP-3145985-A1 FUNCTIONALIZED POLYMER PARTICLES FOR USE AS TOUGHENING AGENT Cytec Industries Inc. (US) 2017-03-29 EP disclosed
EP-3145980-A1 PARTICULATE AMINE-FUNCTIONALIZED POLYARYLETHERKETONE POLYMER AND COPOLYMERS THEREOF Cytec Industries Inc. (US) 2017-03-29 EP disclosed
EP-3145974-A1 METHOD FOR MAKING PARTICULATE AMINE-FUNCTIONALIZED POLYARYLETHERKETONE POLYMERS AND COPOLYMERS THEREOF Ketonex Limited (GB) 2017-03-29 EP disclosed
US-20150337183-A1 FUNCTIONALIZED POLYMER PARTICLES FOR USE AS TOUGHENING AGENT CYTEC INDUSTRIES INC. (US) 2015-11-26 US disclosed
WO-2015179587-A1 PARTICULATE AMINE-FUNCTIONALIZED POLYARYLETHERKETONE POLYMER AND COPOLYMERS THEREOF CYTEC INDUSTRIES INC. (US) 2015-11-26 WO disclosed
WO-2015177549-A1 METHOD FOR MAKING PARTICULATE AMINE-FUNCTIONALIZED POLYARYLETHERKETONE POLYMERS AND COPOLYMERS THEREOF KETONEX LIMITED (GB) 2015-11-26 WO disclosed
WO-2015179618-A1 FUNCTIONALIZED POLYMER PARTICLES FOR USE AS TOUGHENING AGENT CYTEC INDUSTRIES INC. (US) 2015-11-26 WO disclosed
US-20150337082-A1 PARTICULATE AMINE-FUNCTIONALIZED POLYARYLETHERKETONE POLYMER AND COPOLYMERS THEREOF KETONEX LIMITED (GB) 2015-11-26 US disclosed
EP-1159255-A2 BIS(1,3-DIHYDROXY-PROP-2-YL)AMINE AND DERIVATIVES THEREOF IN THE MANUFACTURE OF POLYMERS ISIS INNOVATION LIMITED (GB) 2001-12-05 EP disclosed
WO-2000055111-A2 BIS(1,3-DIHYDROXY-PROP-2-YL)AMINE AND DERIVATIVES THEREOF IN THE MANUFACTURE OF POLYMERS ISIS INNOVATION LIMITED (GB) 2000-09-21 WO disclosed
WO-1995031459-A1 MORPHOLINO-SUBUNIT COMBINATORIAL LIBRARY AND METHOD ANTIVIRALS INC. (US) 1995-11-23 WO disclosed