SCHEMBL4243820

SCHEMBL4243820

CCCCC(C)C(C)(N)N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
CA2 P00918 6/20 0.38
CA1 P00915 4/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
DNM1 Q05193 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
SLC15A1 P46059 1/20 0.32
TP53 P04637 1/20 0.32

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
Bromide SCHEMBL27549388 0.97 OPRM1 (0.39) OPRM1CA2CA1ALDH1A1TDP1
SCHEMBL25272951 0.92 OPRM1 (0.50) OPRM1CA2CA1DNM1SLC1A2
SCHEMBL29090518 0.90 OPRM1 (0.48) OPRM1CA2DNM1TSHRSPHK1
SCHEMBL25273886 0.90 OPRM1 (0.48) OPRM1CA2DNM1TSHRSPHK1
SCHEMBL25278354 0.90 OPRM1 (0.48) OPRM1CA2DNM1TSHRSPHK1
SCHEMBL30433970 0.90 OPRM1 (0.48) OPRM1CA2DNM1TSHRSPHK1
SCHEMBL142680 0.84 OPRM1 (0.40) OPRM1CA2CA1ALDH1A1TDP1
SCHEMBL7176405 0.83
Water SCHEMBL11611074 0.82 OPRM1 (0.39) OPRM1CA2CA1ALDH1A1TDP1
Bromide SCHEMBL923657 0.82 OPRM1 (0.39) OPRM1CA2CA1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114672154-A Semi-aromatic polyamide molding composition for LED 金发科技股份有限公司 2022-06-28 CN claimed
CN-109554004-A Pigment dispersing agent and application thereof 江苏丽王科技股份有限公司 2019-04-02 CN claimed
CN-104927348-B Antibiosis anticoagulative blood high molecular material and its preparation method and application 北京化工大学 2018-04-13 CN claimed
EP-3142771-A1 NOVEL BETA-HYDROXYLATED TERTIARY DIAMINES, A PROCESS FOR THEIR SYNTHESIS AND THEIR USE FOR ELIMINATING ACID COMPOUNDS FROM A GASEOUS EFFLUENT IFP Énergies nouvelles (FR) 2017-03-22 EP claimed
CN-103752211-B A kind of trisiloxanes quaternary ammonium salt of sugary amide group and method for making BEIJING TECHNOLOGY AND BUSINESS UNIVERSITY (CN) 2015-12-09 CN claimed
WO-2015173262-A1 NOVEL BETA-HYDROXYLATED TERTIARY DIAMINES, A PROCESS FOR THEIR SYNTHESIS AND THEIR USE FOR ELIMINATING ACID COMPOUNDS FROM A GASEOUS EFFLUENT IFP Energies Nouvelles (FR) 2015-11-19 WO claimed
CN-104927348-A Antibacterial and anticoagulant polymer material, preparation method and application thereof UNIV BEIJING CHEMICAL 2015-09-23 CN claimed
CN-104130415-A Organosilicon quaternary ammonium salt containing alkyl group and glycosylamide group, and preparation method thereof UNIV BEIJING TECH & BUSINESS 2014-11-05 CN claimed
CN-104086577-A Organosilicon quaternary ammonium salt containing glucosamide group and preparation method of organosilicon quaternary ammonium salt UNIV BEIJING TECH & BUSINESS 2014-10-08 CN claimed
CN-102863616-A Preparation method of low-melting-point copolyamide hot melt adhesive SHANGHAI TIAN YANG HOT MELT ADHESIVE CO LTD 2013-01-09 CN claimed
CN-1279088-C Polymeric phosphite compositions and hydrocyanation of unsaturated organic compounds and isomerization of unsaturated nitriles INVISTA TECH SARL (CH) 2006-10-11 CN claimed
WO-2006097348-A1 USE OF AGENTS SUCH AS NONPOLYMERIC NITRIC OXIDE DONORS FOR MAKING THE LIPS FULL AGAIN AND/OR COLOURING THE LIPS L'OREAL (FR) 2006-09-21 WO claimed
CN-1213807-C Hydroformylation of Unsaturated Compounds Using Phosphite Polymer Ligands DU PONT (US) 2005-08-10 CN claimed
EP-0675144-B1 Flexibilized polyepoxide resins incorporating poly-N-methylated secondary amines AIR PROD & CHEM (US) 2003-05-28 EP claimed
CN-1390241-A Polymeric phosphite compositions and hydrocyanation of unsaturated organic compounds and isomerization of unsaturated nitriles DU PONT (US) 2003-01-08 CN claimed
CN-1374886-A Hydroformylation of unsaturated compounds using polymeric phosphite ligands DU PONT (US) 2002-10-16 CN claimed
EP-1216268-A1 POLYMERIC PHOSPHITE COMPOSITION AND HYDROCYANATION OF UNSATURATED ORGANIC COMPOUNDS AND THE ISOMERIZATION OF UNSATURATED NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-26 EP claimed
WO-2001021684-A1 POLYMERIC PHOSPHITE COMPOSITION AND HYDROCYANATION OF UNSATURATED ORGANIC COMPOUNDS AND THE ISOMERIZATION OF UNSATURATED NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-03-29 WO claimed
WO-1999030716-A1 THE USE OF NITRIC OXIDE GENERATIONS FOR THE TREATMENT OF DRY EYE DISORDERS ALCON LABORATORIES, INC. (US) 1999-06-24 WO claimed
EP-0675144-A2 Flexibilized polyepoxide resins incorporating poly-N-methylated secondary amines AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-10-04 EP claimed