⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14066677 | 1.00 | — | — | |
| SCHEMBL16572649 | 0.84 | ADH1B (0.39) | — | |
| SCHEMBL9530406 | 0.78 | — | — | |
| SCHEMBL697887 | 0.78 | — | — | |
| SCHEMBL697886 | 0.78 | — | — | |
| SCHEMBL25454363 | 0.76 | ADH1B (0.46) | — | |
| SCHEMBL4229324 | 0.76 | — | — | |
| SCHEMBL4229332 | 0.76 | — | — | |
| SCHEMBL16919240 | 0.76 | — | — | |
| SCHEMBL9813811 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2271665-B1 | HIGHLY BRIDGED PEPTIDES FROM ACTINOMADURA NAMIBIENSIS | SANOFI SA (FR) | 2012-01-18 | — | — | EP | disclosed |
| US-7731957-B1 | High-activity mutants of butyrylcholinesterase for cocaine hydrolysis and method of generating the same | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2010-06-08 | — | — | US | disclosed |
| EP-0697399-B1 | Process for the preparation of N-alkenyl carboxylic acid amide | BASF AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| EP-0709367-B1 | Process for the preparation of N-alcenyl carboxylic amides | BASF AG (DE) | 1997-08-27 | — | — | EP | disclosed |
| US-5654478-A | DEESTERIFICATION OF A ALKENYL CARBOXYLATE WITH PRIMARY | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-05 | — | — | US | disclosed |
| EP-0709367-A1 | Process for the preparation of N-alcenyl carboxylic amides | BASF Aktiengesellschaft (DE) | 1996-05-01 | — | — | EP | disclosed |
| EP-0697399-A2 | Process for the preparation of N-alkenyl carboxylic acid amide | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-21 | — | — | EP | disclosed |