SCHEMBL121144

SCHEMBL121144

O=C1CS[CH]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
SCHEMBL4590049 0.72
SCHEMBL122559 0.65
SCHEMBL6348233 0.64
SCHEMBL12483162 0.63
SCHEMBL321826 0.61
SCHEMBL10369835 0.61
SCHEMBL7640633 0.58
SCHEMBL10367298 0.58
SCHEMBL6065013 0.58
SCHEMBL828805 0.56

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 1331 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027018-A Tetrahydrocyclopentyl [ c ] pyrrole methyl ketone derivative, preparation method and application thereof 江苏恩华药业股份有限公司 2024-05-14 CN claimed
CN-109476668-B 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazines and 6, 7-dihydro-4H-triazolo [1,5-a ] pyrazines for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2022-03-22 CN claimed
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases HOFFMANN LA ROCHE INC. (US) 2020-06-16 US claimed
EP-3484886-B1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2020-03-04 EP claimed
US-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US claimed
EP-3484886-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES Hoffmann-La Roche AG (CH) 2019-05-22 EP claimed
WO-2018011163-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 WO claimed
EP-1660507-B2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME MILLENNIUM PHARM INC (US) 2017-01-04 EP claimed
EP-2081541-B1 MICROENCAPSULATED PHOTO-INITIATORS AND THE USE THEREOF FOR DENTAL MATERIALS IVOCLAR VIVADENT AG (LI) 2012-07-04 EP claimed
CN-1882568-B Pyrrol derivatives with antibacterial activity ASTRAZENECA AB 2012-03-28 CN claimed
WO-2003074513-A2 INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-09-12 WO claimed
WO-2003074531-A1 HETEROCYCLIC AMIDE DERIVATIVES HAVING GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-12 WO claimed
WO-2003074484-A1 INDOLAMID DERIVATIVES WHICH POSSESS GLYCOGENPHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-12 WO claimed
WO-2003074532-A1 HETEROCYCLIC AMIDE DERIVATIVES AS INHIBITORS OF GLYCOGEN PHOSPHORYLASE ASTRAZENECA AB (SE) 2003-09-12 WO claimed
WO-2003017766-A2 HERBICIDES MADE FROM SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2003-03-06 WO claimed
WO-2002096884-A2 SUBSTITUTED BENZOYLKETONES AS HERBICIDAL AGENTS FOR USE AS PLANT TREATMENT AGENT BAYER CROPSCIENCE AG (DE) 2002-12-05 WO claimed
WO-2002094792-A1 HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2002-11-28 WO claimed
WO-2002092574-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2002-11-21 WO claimed
WO-2001064675-A1 CONDENSED THIAZOLAMINES AND THEIR USE AS NEUROPEPTIDE Y5 ANTAGONISTS NOVARTIS AG (CH) 2001-09-07 WO claimed
EP-0003640-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 EP claimed