SCHEMBL535907

SCHEMBL535907

[CH2]c1ccccc1[S+](C)[O-]

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
SCHEMBL5541394 0.79
SCHEMBL4775922 0.75
SCHEMBL1642155 0.72 TSHR (0.45)
SCHEMBL6508099 0.72 TSHR (0.45)
SCHEMBL514292 0.72 TSHR (0.45)
SCHEMBL15109080 0.72 TSHR (0.45)
SCHEMBL29726981 0.72 TSHR (0.45)
SCHEMBL8999536 0.72 TSHR (0.45)
SCHEMBL514390 0.72 ACHE (0.42)
SCHEMBL5320697 0.72 TP53 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615544-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2020-03-04 EP disclosed
WO-2018197663-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2018-11-01 WO disclosed
WO-2018167270-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2018-09-20 WO disclosed
CN-107873031-A Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2018-04-03 CN disclosed
EP-3174870-A1 THIENO [3,2-D]PYRIMIDINE, FURO [3,2,D]PYRIMIDINE, AND PYRROLO [3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2017-06-07 EP disclosed
WO-2016018697-A1 THIENO [3,2-D] PYRIMIDINE, FURO [3,2,D] PYRIMIDINE, AND PYRROLO [3,2-D] PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2016-02-04 WO disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-102448955-B Aminopyrimidine Anticancer Compounds OSI PHARM INC 2014-06-18 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed
US-4414210-A 2-Hydroxyarylethyltriazole fungicides ROHM AND HAAS COMPANY (US) 1983-11-08 US disclosed
US-4413003-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1983-11-01 US disclosed
US-3869507-A MULTISTAGE MERCK & CO INC 1975-03-04 US disclosed
US-3868415-A MULTISTAGE FROM 5-FLUORO-2-METHYL-INDANE-1,3-DIONE AND A MALONATE MERCK & CO INC 1975-02-25 US disclosed