SCHEMBL2551762

SCHEMBL2551762

C=CC(N)N=C=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
Hydrochloric Acid SCHEMBL1091523 0.97
SCHEMBL6274187 0.72
SCHEMBL16246127 0.72
SCHEMBL9686675 0.67
SCHEMBL27876899 0.67
SCHEMBL4946810 0.67
SCHEMBL3264301 0.65
SCHEMBL15902780 0.62
SCHEMBL2940369 0.62
SCHEMBL2543806 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383377-B1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE PROCTER & GAMBLE (US) 2024-04-17 EP disclosed
CN-108472267-B Compounds and methods for inhibiting trimethylamine production 宝洁公司 2021-12-24 CN disclosed
EP-3383377-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE The Procter and Gamble Company (US) 2018-10-10 EP disclosed
WO-2017095975-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE THE PROCTER & GAMBLE COMPANY (US) 2017-06-08 WO disclosed
US-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE THE PROCTER & GAMBLE COMPANY 2017-06-01 US disclosed
EP-1863816-B1 SYNTHESIS AND PURIFICATION OF PTEROIC ACID AND CONJUGATES THEREOF ENDOCYTE INC (US) 2014-06-25 EP disclosed
US-20140050778-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2014-02-20 US disclosed
WO-2012092367-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2012-07-05 WO disclosed
US-8044200-B2 Enhance immunology response; ion exchanging with chromatography support ENDOCYTE, INC. (US) 2011-10-25 US disclosed
US-20080207625-A1 Synthesis and Purification of Pteroic Acid and Conjugates Thereof ENDOCYTE, INC. (US) 2008-08-28 US disclosed
EP-1863816-A2 SYNTHESIS AND PURIFICATION OF PTEROIC ACID AND CONJUGATES THEREOF Endocyte, Inc. (US) 2007-12-12 EP disclosed
WO-2006101845-A2 SYNTHESIS AND PURIFICATION OF PTEROIC ACID AND CONJUGATES THEREOF ENDOCYTE, INC. (US) 2006-09-28 WO disclosed