SCHEMBL3953115

SCHEMBL3953115

[CH]1NN1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL6559802 0.45
SCHEMBL29889134 0.45
SCHEMBL29612863 0.45
Fluoride Ion SCHEMBL8711053 0.32
SCHEMBL74539 0.32
SCHEMBL6139908 0.32
SCHEMBL1179177 0.32
Hydrochloric Acid SCHEMBL72335 0.32
Fluoride Ion SCHEMBL73611 0.32
SCHEMBL1629906 0.32

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103608343-B Crystalline forms and processes for the preparation of fused azaheterocycles as cannabinoid receptor modulators 艾尼纳制药公司 2019-02-01 CN claimed
EP-1553947-A4 QUINAZOLINONES AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-29 EP claimed
EP-1553947-A2 QUINAZOLINONES AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-07-20 EP claimed
US-20040132732-A1 Quinazolinones and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US claimed
WO-2004037176-A2 QUINAZOLINONES AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-06 WO claimed
CN-109970708-A Cannibinoid receptor modulators 艾尼纳制药公司 2019-07-05 CN disclosed
CN-103492369-B Cannabinoid receptor modulators 艾尼纳制药公司 2019-03-29 CN disclosed
CN-103608343-B Crystalline forms and processes for the preparation of fused azaheterocycles as cannabinoid receptor modulators 艾尼纳制药公司 2019-02-01 CN disclosed
US-8372848-B2 N-benzylamino cyclic thioureas; obesity and related disorders; (N-(3-{(4S)-1-[(1S)-2-(benzylamino)-1-methylethyl]-3-[2-(3-fluorophenyl)ethyl]-2-thioxoimidazolidin-4-yl}propyl)guanidine MIXTURE SCIENCES, INC. (US) 2013-02-12 US disclosed
EP-1727540-A4 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE UNIV CALIFORNIA (US) 2009-07-22 EP disclosed
US-20080255218-A1 Melanin-Concentrating Hormone Receptor Antagonists and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-16 US disclosed
EP-1727540-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE The Regents Of the University of California (US) 2006-12-06 EP disclosed
WO-1998020000-A2 SUBSTITUTED 3-BENZYLPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-05-14 WO disclosed
EP-0836593-A1 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-22 EP disclosed
WO-1998012182-A1 1-SULFONYL-3-PHENYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING OR DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 WO disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997030059-A1 SUBSTITUTED 2-PHENYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed
WO-1997015559-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed
WO-1997002251-A1 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-01-23 WO disclosed