SCHEMBL136130

SCHEMBL136130

CC=CC[S]

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
SCHEMBL136129 1.00
SCHEMBL11083829 0.74
SCHEMBL11083831 0.74
SCHEMBL130791 0.69
SCHEMBL130790 0.69
SCHEMBL1309082 0.67
SCHEMBL135816 0.65
SCHEMBL8966546 0.64 TSHR (0.33)
SCHEMBL8600550 0.64
SCHEMBL8966543 0.64 TSHR (0.33)

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 1140 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603928-B1 PYRIDINIUM-BETAIN COMPOUNDS AND THEIR USE NESTEC SA (CH) 2007-08-01 EP claimed
US-20060204629-A1 Pyridinium-betain compounds and their use NESTEC S.A. (CH) 2006-09-14 US claimed
EP-1603928-A1 PYRIDINIUM-BETAIN COMPOUNDS AND THEIR USE NESTEC S.A. (CH) 2005-12-14 EP claimed
WO-2004081018-A1 PYRIDINIUM-BETAIN COMPOUNDS AND THEIR USE NESTEC S.A. (CH) 2004-09-23 WO claimed
EP-0603712-B1 Heterocyclic compounds having angiotensin II antagonistic activity and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-08-16 EP claimed
US-5496835-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-05 US claimed
EP-0603712-A2 Heterocyclic compounds having angiotensin II antagonistic activity and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-06-29 EP claimed
US-5045108-A Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US claimed
US-4895793-A 1,1'SPIROBISINDANE COMPOUNDS AS DYE STABILIZERS; ANTISOILANTS FUJI PHOTO FILM CO., LTD. (JP) 1990-01-23 US claimed
US-4868101-A SPIROBIBENZOFURANS AS DYE STABILIZERS DISCOLORATION INHIBITIONS; COLOR PRESERVATION FUJI PHOTO FILM CO., LTD. (JP) 1989-09-19 US claimed
EP-3632441-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
CN-118344346-A Heterocyclic compounds and their use 武田药品工业株式会社 2024-07-16 CN disclosed
EP-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed
CN-118290408-A Heterocyclic compounds and their use 武田药品工业株式会社 2024-07-05 CN disclosed
US-20240217957-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-04 US disclosed
EP-0061037-A1 Fungicides based on 1,2-oxazolyl phosphates, and the use of these active agents in combating fungi BASF Aktiengesellschaft (DE) 1982-09-29 EP disclosed
EP-0007605-B1 A PROCESS FOR INVERTING THE CONFIGURATION IN OPTICALLY ACTIVE COMPOUNDS AND OPTICALLY ACTIVE INTERMEDIATE COMPOUNDS AND THEIR SALTS REQUIRED THEREFOR CIBA-GEIGY AG (CH) 1982-09-15 EP disclosed
US-4294966-A SALT FORMATION CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 EP disclosed
US-4161530-A CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed