SCHEMBL3096827

SCHEMBL3096827

Cc1cc(S)nc(C)n1

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
SCHEMBL11740480 0.85
SCHEMBL196024 0.78
SCHEMBL5697745 0.78
Water SCHEMBL6010194 0.76 POLB (0.50)
SCHEMBL11436434 0.74
SCHEMBL4586681 0.74
SCHEMBL9677305 0.74
SCHEMBL12892263 0.74
SCHEMBL3096825 0.72
SCHEMBL8430579 0.72

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107641202-A A kind of Cu (I) base fluorescence metal organic backbone and preparation method and application 中北大学 2018-01-30 CN claimed
US-5614533-A Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) 1997-03-25 US claimed
EP-0560268-B1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-01-04 EP claimed
EP-0560268-A1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP claimed
EP-2945950-B1 ISOMANNIDE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI SA (FR) 2017-03-01 EP disclosed
CN-102702147-B The application of andrographolide analog and treatment thereof 辽宁利锋科技开发有限公司 2016-06-08 CN disclosed
US-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION LIAONING LIFENG SCIENT & TECHNOLOGY DEV COMPANY LTD (CN) 2015-06-04 US disclosed
EP-1764650-B1 Photosensitive composition, and lithographic printing plate precursor and image-recording method using the same FUJIFILM CORP (JP) 2013-02-27 EP disclosed
CN-102702147-A Andrographolide analogue and application of andrographolide analogue to treatment LIAONING LIFENG TECHNOLOGY DEV CO LTD 2012-10-03 CN disclosed
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
CN-1543346-A Novel compounds ʷ��˿�������ȳ�ķ���޹�˾ 2004-11-03 CN disclosed
US-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US disclosed
EP-1200398-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2002-05-02 EP disclosed
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO disclosed
US-5807870-A SIDE EFFECT REDUCTION BIOMEGA BOEHRINGER INGELHEIM RESEARCH LTD. (CA) 1998-09-15 US disclosed
EP-0643702-B1 4-PYRIMIDINE SULFENAMIDES AND THEIR USE IN RUBBER MONSANTO CO (US) 1997-01-02 EP disclosed
CN-1079482-A 4-pyrimidine sulfinyl amine and the application in rubber thereof MONSANTO CO (US) 1993-12-15 CN disclosed
US-4057634-A Antiprotozoal(1-alkyl-5-nitro-imidazolyl-2-alkyl)-pyridazines HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed
US-3991191-A Antiprotozoal (1-alkyl-5-nitro-imidazolyl-2-alkyl)-pyrimidines HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed