⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11797697 | 1.00 | — | — | |
| SCHEMBL15448059 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL7769045 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL7769047 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL7814020 | 0.80 | — | — | |
| SCHEMBL1059082 | 0.80 | — | — | |
| SCHEMBL1059084 | 0.80 | — | — | |
| SCHEMBL5953059 | 0.80 | — | — | |
| SCHEMBL8728592 | 0.79 | PTGS1 (0.32) | — | |
| SCHEMBL12811117 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7345059-B2 | Diphenylpyridine derivatives, preparation and therapeutic application thereof | SANOFI-AVENTIS (FR) | 2008-03-18 | — | — | US | disclosed |
| US-3974092-A | COMPOUND, 6B, ORGANOALUMINUM COMPOUND, ETHER OF OLEFIN ALCOHOL | CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) | 1976-08-10 | — | — | US | disclosed |