SCHEMBL6000672

SCHEMBL6000672

N#CCCCCC#N.N#CCCCCC#N

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TDP1 Q9NUW8 1/20 0.64
TSHR P16473 3/20 0.60
MAPT P10636 1/20 0.48
LOX P28300 1/20 0.47
LOXL3 P58215 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.37
NLRP3 Q96P20 1/20 0.35
LCK P06239 1/20 0.35
HIF1A Q16665 2/20 0.32
EPAS1 Q99814 2/20 0.32
GBA1 P04062 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL30678315 1.00
SCHEMBL59340 1.00
SCHEMBL1004438 0.95 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTLOX
SCHEMBL818520 0.95
SCHEMBL1004069 0.95 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTLOX
SCHEMBL1003333 0.95 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTLOX
SCHEMBL411130 0.95 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTLOX
SCHEMBL5203287 0.95 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTLOX
Hydrochloric Acid SCHEMBL2761828 0.95 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTLOX
SCHEMBL645518 0.95 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTLOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103080074-B For the preparation of the method for nitrile INVISTA TECHNOLOGIES S.A.R.L. (CH) 2015-08-12 CN claimed
CN-110078614-A Adipic acid composition 阿彻丹尼尔斯米德兰德公司 2019-08-02 CN disclosed
CN-109608363-A A method of purifying adiponitrile 中国天辰工程有限公司 2019-04-12 CN disclosed
CN-108409606-B A kind of production system of adiponitrile 重庆华峰化工有限公司 2019-03-29 CN disclosed
CN-108409606-A A kind of production system of adiponitrile 重庆华峰化工有限公司 2018-08-17 CN disclosed
CN-106267864-A A kind of high-efficiency evaporator refined for adiponitrile and adiponitrile process for refining 中国天辰工程有限公司 2017-01-04 CN disclosed
US-9447213-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2016-09-20 US disclosed
CN-105531257-A Separation of solvent from nickel catalyst by distillation INVISTA TECH SARL 2016-04-27 CN disclosed
CN-103209956-B For the preparation of the method for nitrile INVISTA TECHNOLOGIES S.A.R.L. (CH) 2015-08-12 CN disclosed
CN-103080074-B For the preparation of the method for nitrile INVISTA TECHNOLOGIES S.A.R.L. (CH) 2015-08-12 CN disclosed
CN-102869642-A Adipic acid composition RENNOVIA INC 2013-01-09 CN disclosed
CN-102013515-A Electrolytic solution for lithium battery, lithium battery employing the same and method for operating the lithium battery SAMSUNG SDI CO LTD 2011-04-13 CN disclosed
CN-101173086-A Curing agents for low temperature curing applications AIR PROD & CHEM (US) 2008-05-07 CN disclosed
EP-1670840-A1 PROCESS FOR MAKING AMIDE ACETALS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-06-21 EP disclosed
CN-1213051-C Method for drying organoborane compound DU PONT (US) 2005-08-03 CN disclosed
WO-2005035613-A1 PROCESS FOR MAKING AMIDE ACETALS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-04-21 WO disclosed
CN-1165523-C Process for preparation of 1-alkyl-3-methylpiperidone-2 and 1-alkyl-5-methylpiperidone-2 纳幕尔杜邦公司 2004-09-08 CN disclosed
CN-1449400-A Process for drying organoborane compounds DU PONT (US) 2003-10-15 CN disclosed
CN-1255122-A Process for the preparation of 1-alkyl-3-methyl-piperidone-2 and 1-alkyl-5-methylpiperidinone-2 DU PONT (US) 2000-05-31 CN disclosed
US-4450112-A CATALYTIC HYDROLYSIS WITH ALCOHOL AND WATER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-22 US disclosed