SCHEMBL2936228

SCHEMBL2936228

O=[C]OC1=CC=CCC1=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
SCHEMBL10334721 0.78
SCHEMBL496727 0.76
SCHEMBL8366895 0.76
SCHEMBL995497 0.76
SCHEMBL4263074 0.76
SCHEMBL1205120 0.74
SCHEMBL6542803 0.72
SCHEMBL18203168 0.71
SCHEMBL6278260 0.71 LMNA (0.31)
SCHEMBL4396752 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328121-A1 Substituted hydrazine mitomycin analogs UNIVERSITY OF HOUSTON (US) 1989-08-16 EP claimed
US-4650868-A 7-deazapurine derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-03-17 US claimed
CN-110015952-B Diaryl methane compound and preparation method and application thereof 北京大学深圳研究生院 2022-08-19 CN disclosed
US-8410075-B2 Mannich base N-oxide drugs CASCADE PRODRUG INC. (US) 2013-04-02 US disclosed
EP-1490374-B1 DITHIOLOPYRROLONE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISEASES WELICHEM BIOTECH INC (CA) 2010-09-22 EP disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
EP-2136626-A1 MANNICH BASE N-OXIDE DRUGS State of Oregon acting by and through the Oregon State Board of Higher Education on behalf of the University of Oregon (US) 2009-12-30 EP disclosed
WO-2008115499-A1 MANNICH BASE N-OXIDE DRUGS STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2008-09-25 WO disclosed
US-6696500-B2 BIOACTIVE SUBSTANCE HAVING ACIDIC GROUP AND A BIODEGRADABLE POLYMER HAVING AN OPTIONALLY PROTECTED BASIC GROUP, SUCH AS A POLYLACTONE THAT HAS BEEN ESTERIFIED, AMIDATED, OR THIOESTERIFIED WITH A COMPOUND HAVING CYCLIC AMINO GROUPS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-24 US disclosed
EP-0815853-B1 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-21 EP disclosed
US-6369177-B1 TRANSITION METAL IMINE COMPLEX, ORGANOMETALLIC, AND ALUMOXANE COMPOUNDS MITSUI CHEMICALS INC (JP) 2002-04-09 US disclosed
EP-0489690-A1 Substituted N-Benzoyl-N'-(2-phenylethyl)-piperazines CIBA-GEIGY AG (CH) 1992-06-10 EP disclosed
EP-0328121-A1 Substituted hydrazine mitomycin analogs UNIVERSITY OF HOUSTON (US) 1989-08-16 EP disclosed
US-4804661-A ANALGESICS CIBA-GEIGY CORPORATION (US) 1989-02-14 US disclosed
EP-0124476-B1 CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1988-06-22 EP disclosed
EP-0250361-A2 Disubstituted piperazines CIBA-GEIGY AG (CH) 1987-12-23 EP disclosed
US-4650868-A 7-deazapurine derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-03-17 US disclosed
US-4559349-A TREATMENT OF PHYCHOSIS CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0160910-A2 7-Deazapurine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1985-11-13 EP disclosed
EP-0124476-A1 Carboxamides, process for their preparation and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1984-11-07 EP disclosed