⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21662402 | 0.71 | — | — | |
| SCHEMBL28243810 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL14341674 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL27299180 | 0.67 | — | — | |
| SCHEMBL12464408 | 0.65 | — | — | |
| SCHEMBL15297581 | 0.65 | — | — | |
| SCHEMBL184319 | 0.65 | — | — | |
| SCHEMBL12855787 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL28193300 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL21072591 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019004012-A1 | COMPOSITION FOR DYEING KERATIN FIBERS | L'OREAL (FR) | 2019-01-03 | — | — | WO | disclosed |