⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7702661 | 0.70 | — | — | |
| SCHEMBL28253806 | 0.69 | — | — | |
| SCHEMBL3976323 | 0.69 | — | — | |
| SCHEMBL5881023 | 0.69 | — | — | |
| SCHEMBL4566706 | 0.68 | — | — | |
| SCHEMBL28102667 | 0.67 | IDO1 (0.31) | — | |
| SCHEMBL5881020 | 0.67 | TDP1 (0.33) | — | |
| SCHEMBL5881053 | 0.67 | CYP19A1 (0.35) | — | |
| SCHEMBL28285476 | 0.66 | TTK (0.30) | — | |
| SCHEMBL8142422 | 0.66 | IDO1 (0.33) | — |
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-1678135-B1 | PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS | AVENTIS PHARMA INC (US) | 2009-05-13 | — | — | EP | claimed |
| EP-1678135-A1 | PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS | Aventis Pharmaceuticals, Inc. (US) | 2006-07-12 | — | — | EP | claimed |
| US-20050101654-A1 | Process for the preparation of N-amino substituted heterocyclic compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2005-05-12 | — | — | US | claimed |
| WO-2005035496-A1 | PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 2005-04-21 | — | — | WO | claimed |
| EP-1678135-B1 | PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS | AVENTIS PHARMA INC (US) | 2009-05-13 | — | — | EP | disclosed |
| US-7112682-B2 | Process for the preparation of N-amino substituted heterocyclic compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2006-09-26 | — | — | US | disclosed |
| US-20050101654-A1 | Process for the preparation of N-amino substituted heterocyclic compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2005-05-12 | — | — | US | disclosed |