SCHEMBL162617

SCHEMBL162617

C=C(C(=O)O)C(CC)(C(=O)O)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
EPHX1 P07099 1/20 0.31
CYP2C19 P33261 2/20 0.30
RECQL P46063 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
KCNH2 Q12809 1/20 0.30
ABCB11 O95342 1/20 0.30
ESR1 P03372 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL16879329 0.91
SCHEMBL8735978 0.85 KEAP1 (0.37) KEAP1NFE2L2EPHX1CYP2C19RECQL
SCHEMBL13269015 0.84 ALDH1A1 (0.34) CYP2C19RECQLCYP1A2CYP3A4CYP2D6
SCHEMBL6518888 0.83
SCHEMBL21269331 0.83 KEAP1 (0.36) KEAP1NFE2L2EPHX1CYP2C19RECQL
SCHEMBL21269269 0.83 KEAP1 (0.36) KEAP1NFE2L2EPHX1CYP2C19RECQL
SCHEMBL28315750 0.83 KEAP1 (0.36) KEAP1NFE2L2EPHX1CYP2C19RECQL
SCHEMBL21269191 0.83 KEAP1 (0.36) KEAP1NFE2L2EPHX1CYP2C19RECQL
SCHEMBL28875942 0.83 KEAP1 (0.36) KEAP1NFE2L2EPHX1CYP2C19RECQL
SCHEMBL28315744 0.83 KEAP1 (0.36) KEAP1NFE2L2EPHX1CYP2C19RECQL

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 133 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-3533826-B1 CROSSLINKABLE RUBBER COMPOSITION, RUBBER CROSSLINKED PRODUCT, AND COMPOSITE ZEON CORP (JP) 2021-10-06 EP disclosed
US-10865293-B2 Cross-linkable rubber composition, rubber crosslinked product, and complex ZEON CORPORATION (JP) 2020-12-15 US disclosed
EP-3728355-A1 NITRILE-DIENE-CARBOXYLIC ACID ESTER COPOLYMERS ARLANXEO Deutschland GmbH (DE) 2020-10-28 EP disclosed
EP-3728452-A1 VULCANIZED HNBR PRODUCT WITH IMPROVED HOT AIR RESISTANCE 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-2325238-A1 Stable fine-particle suspensions of functionalised, wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-25 EP disclosed
EP-2325237-A1 Stable fine-particle suspensions of functionalised, wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-25 EP disclosed
EP-2316860-A1 Nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-04 EP disclosed
EP-2316861-A1 Nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-04 EP disclosed
EP-2298824-A1 Nitrile rubbers and production of same in organic solvents LANXESS Deutschland GmbH (DE) 2011-03-23 EP disclosed
EP-2289987-A1 Vulcanizable blend and its use for reparing rubberbased molded articles LANXESS Deutschland GmbH (DE) 2011-03-02 EP disclosed
EP-2267037-A1 Use of wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2010-12-29 EP disclosed
US-20100168302-A1 Crosslinkable Rubber Composition and Cross-Linked Rubber ZEON CORPORATION (JP) 2010-07-01 US disclosed
EP-1964882-A1 CROSSLINKABLE RUBBER COMPOSITION AND RUBBER CROSSLINKED PRODUCT ZEON CORPORATION (JP) 2008-09-03 EP disclosed