⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28035585 | 0.88 | — | — | |
| SCHEMBL1275382 | 0.75 | MAOA (0.31) | — | |
| SCHEMBL473159 | 0.73 | MAOA (0.32) | — | |
| SCHEMBL28187477 | 0.72 | MAOA (0.31) | — | |
| SCHEMBL28306376 | 0.72 | MAOA (0.31) | — | |
| SCHEMBL28146959 | 0.72 | MAOA (0.31) | — | |
| SCHEMBL11331090 | 0.72 | MAOA (0.31) | — | |
| SCHEMBL11429000 | 0.72 | ENPP2 (0.33) | — | |
| Formic Acid SCHEMBL28307261 | 0.72 | MAOA (0.30) | — | |
| SCHEMBL28115330 | 0.72 | MAOA (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4255273-A | COMPRISING A WATER-SOLUBLE PHOTOACTIVATOR AND A CATIONIC SUBSTANCE | THE PROCTER & GAMBLE COMPANY (US) | 1981-03-10 | — | — | US | disclosed |