SCHEMBL729436

SCHEMBL729436

C=CCNC(C)=N

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
SCHEMBL1506053 0.77 ALDH1A1 (0.48)
SCHEMBL6589055 0.74
SCHEMBL8519755 0.74
SCHEMBL7996738 0.74
SCHEMBL14289025 0.74
SCHEMBL23289800 0.74
SCHEMBL9278544 0.74
SCHEMBL18750596 0.74 TSHR (0.46)
SCHEMBL14367314 0.72
SCHEMBL21450837 0.72

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 EP claimed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US claimed
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 EP claimed
US-9504688-B2 Methods and compositions for treating bacterial infection THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 US disclosed
US-20150132352-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-14 US disclosed
WO-2014007650-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-09 WO disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
EP-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 EP disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed
JP-H07082229-A ACETAMIDINES, THEIR PRODUCTION AND PRODUCTION OF ACETAMIDES USING THE SAME SHIONOGI & CO 1995-03-28 JP disclosed
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 EP disclosed
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 EP disclosed