⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9812717 | 0.97 | — | — | |
| SCHEMBL175817 | 0.75 | — | — | |
| SCHEMBL1292866 | 0.71 | — | — | |
| SCHEMBL29647937 | 0.71 | — | — | |
| SCHEMBL290398 | 0.70 | — | — | |
| SCHEMBL3630246 | 0.69 | — | — | |
| SCHEMBL3760216 | 0.69 | — | — | |
| SCHEMBL4205332 | 0.69 | — | — | |
| SCHEMBL3629050 | 0.67 | TSHR (0.56) | — | |
| SCHEMBL32675679 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0764638-B1 | A process for the preparation of pyridine | DAICEL CHEM (JP) | 2001-04-18 | — | — | EP | disclosed |
| US-5952258-A | CONDENSATION OF ALIPHATIC ALDEHYDES AND/OR KETONES WITH AMMONIA IN THE PRESENCE OF CATALYSTS CONSISTING OF AT LEAST ONE METAL COMPOUND OR IONS SELECTED FROM INDIUM, SILVER, GERMANIUM, GALLIUM, IN OR ON A ZEOLITE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-09-14 | — | — | US | disclosed |
| EP-0764638-A1 | A process for the preparation of pyridine | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1997-03-26 | — | — | EP | disclosed |