SCHEMBL164141

SCHEMBL164141

O=C(O)C=C(C(=O)O)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
HPGD P15428 1/20 0.31
HSD11B1 P28845 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL165512 1.00 CES2 (0.40) CES2CES1HDAC8HDAC6TSHR
SCHEMBL164140 1.00 CES2 (0.40) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5086026 0.98 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL166051 0.98 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL164962 0.98 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1794601 0.98 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1794603 0.98 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL164961 0.98 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11813902 0.96 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11813910 0.96 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR

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 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145921-B1 Vulcanizable polymer compositions ARLANXEO DEUTSCHLAND GMBH (DE) 2017-01-25 EP claimed
EP-2199326-B1 Vulcanizable polymer compositions LANXESS DEUTSCHLAND GMBH (DE) 2014-10-29 EP claimed
EP-3728355-B1 NITRILE DIENE CARBOXYLIC ACID ESTER COPOLYMERS ARLANXEO DEUTSCHLAND GMBH (DE) 2022-04-20 EP disclosed
EP-3668922-B1 VULCANISABLE COMPOSITIONS CONTAINING HYDROGENATED NITRILE RUBBER, VULCANIZATES PREPARED FROM SAME AND THEIR USE ARLANXEO DEUTSCHLAND GMBH (DE) 2022-03-16 EP disclosed
EP-3720885-B1 METHOD FOR PRODUCING NITRILE RUBBERS WITH RUTHENIUM COMPLEX CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2021-12-01 EP disclosed
EP-3684604-B1 VULCANIZABLE HNBR COMPOSITION WITH HIGH THERMAL CONDUCTIVITY ARLANXEO DEUTSCHLAND GMBH (DE) 2021-11-24 EP disclosed
EP-3728452-A1 VULCANIZED HNBR PRODUCT WITH IMPROVED HOT AIR RESISTANCE ARLANXEO Deutschland GmbH (DE) 2020-10-28 EP disclosed
EP-3728355-A1 NITRILE-DIENE-CARBOXYLIC ACID ESTER COPOLYMERS ARLANXEO Deutschland GmbH (DE) 2020-10-28 EP disclosed
EP-3720885-A1 PROCESS FOR PRODUCING NITRILE RUBBERS USING RUTHENIUM COMPLEX CATALYSTS ARLANXEO Deutschland GmbH (DE) 2020-10-14 EP disclosed
EP-3684604-A1 VULCANIZABLE HNBR COMPOSITION HAVING HIGH THERMAL CONDUCTIVITY ARLANXEO Deutschland GmbH (DE) 2020-07-29 EP disclosed
EP-3090017-B1 HYDROGENATED NITRILE RUBBERS CONTAINING PHENOL ARLANXEO DEUTSCHLAND GMBH (DE) 2020-07-15 EP disclosed
US-20060052575-A1 Mixed catalyst composition CHEMTURA ORGANOMETALLICS GMBH (DE) 2006-03-09 US disclosed
US-20060047101-A1 Catalytic composition of organotin compounds CHEMTURA ORGANOMETALLICS GMBH (DE) 2006-03-02 US disclosed
EP-1567473-A1 MIXED CATALYTIC COMPOSITION Crompton GmbH (DE) 2005-08-31 EP disclosed
EP-1565509-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS Crompton GmbH (DE) 2005-08-24 EP disclosed
WO-2004050597-A1 MIXED CATALYTIC COMPOSITION CROMPTON GMBH (DE) 2004-06-17 WO disclosed
WO-2004050742-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS CROMPTON GMBH (DE) 2004-06-17 WO disclosed
EP-1425317-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.p.A. (IT) 2004-06-09 EP disclosed
US-20040014595-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-01-22 US disclosed
WO-2003022894-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-03-20 WO disclosed