SCHEMBL94646

SCHEMBL94646

O=[C]C1NCCS1

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
SCHEMBL21110808 0.83
SCHEMBL15827025 0.74
Hydrochloric Acid SCHEMBL3512729 0.72
SCHEMBL3618802 0.65
SCHEMBL3589857 0.64
SCHEMBL6596432 0.64
SCHEMBL679048 0.64
SCHEMBL213131 0.61 MAPT (0.38)
SCHEMBL964868 0.60
SCHEMBL209169 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317723-A1 Bioconjugation of Polypeptides THE UNIVERSITY OF YORK (GB) 2020-10-08 US claimed
EP-3688007-A1 BIOCONJUGATION OF POLYPEPTIDES The University of York (GB) 2020-08-05 EP claimed
WO-2019063958-A1 BIOCONJUGATION OF POLYPEPTIDES THE UNIVERSITY OF YORK (GB) 2019-04-04 WO claimed
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 EP claimed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US claimed
US-20160272632-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US claimed
EP-2976339-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP claimed
WO-2014146491-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO claimed
CN-103562185-A Derivatives of 1-phenyl-2-pyridylalkylalcohols as phosphodiesterase inhibitors CHIESI FARMA SPA 2014-02-05 CN claimed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US claimed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP claimed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO claimed
EP-1653960-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN INC. (US) 2006-05-10 EP claimed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO claimed
US-20050215526-A1 Melanin concentrating hormone receptor antagonist AMGEN, INC. 2005-09-29 US claimed
WO-2005019167-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN, INC. (US) 2005-03-03 WO claimed
EP-1021200-A1 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS BASF AKTIENGESELLSCHAFT (DE) 2000-07-26 EP claimed
WO-1999017792-A1 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO claimed
US-5229386-A Anticoagulants, hypotensive agents, antiallergens, antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-20 US claimed
EP-0388909-A2 Thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-26 EP claimed