SCHEMBL11113794

SCHEMBL11113794

CCCCC(CC)CO.[Ni]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.95
▸ LMNA P02545 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.54
▸ CYP3A4 P08684 5/20 0.52
▸ TSHR P16473 4/20 0.52
▸ CA2 P00918 5/20 0.48
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPK1 P28482 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL27894181 0.97 ALDH1A1 (0.90) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL16324 0.97 — —
SCHEMBL6249719 0.97 ALDH1A1 (1.00) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL9492501 0.97 — —
SCHEMBL8420801 0.97 — —
SCHEMBL23087843 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL3252206 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
Butane SCHEMBL21384927 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL22664580 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
Hexane SCHEMBL10632030 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113906058-A Modified high cis polybutadiene polymers, related methods and rubber compositions 普利司通美国轮胎运营有限责任公司 2022-01-07 — — CN disclosed
CN-113825777-A Modified high cis polybutadiene polymers, related methods and tire components 株式会社普利司通 2021-12-21 — — CN disclosed
US-10374246-B2 Ion exchange membrane and manufacturing method therefor HYUNDAI ELECTRIC & ENERGY SYSTEMS CO., LTD. (KR) 2019-08-06 — — US disclosed
CN-108129590-A Use the conjugated diene bulk polymerization of the antigravity system based on nickel 株式会社普利司通 2018-06-08 — — CN disclosed
US-20160380297-A1 ION EXCHANGE MEMBRANE AND MANUFACTURING METHOD THEREFOR HYUNDAI HEAVY INDUSTRIES CO., LTD. (KR) 2016-12-29 — — US disclosed
CN-103596997-B Process for preparing high cis polydienes 株式会社普利司通 2016-08-24 — — CN disclosed
CN-103183750-B Nickel-based catalyst composition BRIDGESTONE CO., LTD. (JP) 2016-03-30 — — CN disclosed
CN-103339157-B Use the conjugated diolefine mass polymerization based on the catalyst system of nickel BRIDGESTONE CO.,LTD. (JP) 2015-09-09 — — CN disclosed
CN-102977230-B Method for removing hydrogenation catalyst in polymer solution CHINA PETROLEUM & CHEMICAL 2015-07-01 — — CN disclosed
CN-104356263-A Nickel-based catalyst composition BRIDGESTONE CORP 2015-02-18 — — CN disclosed
CN-101563398-B Branched polymers and methods of synthesis and use thereof BRIDGESTONE CORP 2012-10-24 — — CN disclosed
CN-102666596-A Processes for preparation of cyclic acyclic diene copolymer and rubber composition BRIDGESTONE CORP 2012-09-12 — — CN disclosed
CN-101333264-B Method for removing residual hydrogenation catalyst after hydrogenation for nonsaturated polymers CHINA PETROLEUM & CHEMICAL 2012-06-27 — — CN disclosed
CN-101563398-A Branched polymers and methods of synthesis and use thereof BRIDGESTONE CORP (JP) 2009-10-21 — — CN disclosed
CN-101333264-A Method for removing residual hydrogenation catalyst after hydrogenation for nonsaturated polymers CHINA PETROCHEMICAL CO LTD (CN) 2008-12-31 — — CN disclosed
CN-101284886-A Nickel-based catalyst composition BRIDGESTONE CORP (JP) 2008-10-15 — — CN disclosed
CN-1970581-A Nickel-based catalyst composition BRIDGESTONE CORP (JP) 2007-05-30 — — CN disclosed
CN-1121422-C Removal of alkali metal compound from polymer cement SHELL INT RESEARCH (NL) 2003-09-17 — — CN disclosed
CN-1161341-A Removal of alkali metal compound from polymer cement SHELL INT RESEARCH (NL) 1997-10-08 — — CN disclosed
EP-0114434-A1 Catalyst and polymerization of olefins with that catalyst STAMICARBON B.V. (NL) 1984-08-01 — — EP disclosed
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