⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6815600 | 0.84 | — | — | |
| SCHEMBL15457509 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL19443053 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL517221 | 0.72 | — | — | |
| SCHEMBL9163351 | 0.71 | — | — | |
| SCHEMBL15457506 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL3966810 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL1006517 | 0.70 | — | — | |
| SCHEMBL1006515 | 0.70 | — | — | |
| SCHEMBL5705399 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651516-B1 | DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER | L'ORÉAL (FR) | 2017-06-14 | — | — | EP | disclosed |