SCHEMBL251191

SCHEMBL251191

C=CCN([C]=S)CC=C

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
SCHEMBL18050619 0.73 ALDH1A1 (0.31)
SCHEMBL5696207 0.71
SCHEMBL2880197 0.71
SCHEMBL20357712 0.69
SCHEMBL932810 0.69
SCHEMBL628986 0.69
SCHEMBL8819455 0.69
SCHEMBL24832 0.69
SCHEMBL8076553 0.69
SCHEMBL6642633 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603508-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2019-03-13 EP claimed
EP-2702047-B1 PESTICIDAL DIARYL-HETEROCYCLYL DERIVATIVES BAYER IP GMBH (DE) 2017-01-04 EP claimed
US-9307764-B2 Pesticidal diaryl—heterocyclyl derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-12 US claimed
CN-104987330-A HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH 2015-10-21 CN claimed
CN-102939288-B Process for preparing dihydropyrrole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2015-09-30 CN claimed
US-20140128614-A1 PESTICIDAL DIARYL - HETEROCYCLYL DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-08 US claimed
CN-103732567-A Dihydrofuran derivatives as pesticidal compounds SYNGENTA PARTICIPATIONS AG 2014-04-16 CN claimed
EP-2702047-A1 PESTICIDAL DIARYL - HETEROCYCLYL DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-03-05 EP claimed
CN-103492380-A Heteroarylpiperidine and piperazine derivatives as fungicides BAYER IP GMBH 2014-01-01 CN claimed
US-20130109757-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-02 US claimed
CN-87103565-A SYNERGISTIC PLANT GROWTH REGULATOR COMPOSITIONS 1988-03-02 CN claimed
CN-85105721-A Weedicide 2-aryl-1,2, and 4-triazine-3,5 (2H, 4H)-diketone and sulfur containing analogs thereof 1987-09-02 CN claimed
EP-0228192-A2 Renin-inhibitory oligopeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-07-08 EP claimed
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 EP claimed
EP-0055099-B1 PENICILLIN DERIVATIVES ICI PHARMA (FR) 1984-10-24 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP claimed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP claimed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP claimed
EP-0055099-A1 Penicillin derivatives ICI PHARMA (FR) 1982-06-30 EP claimed