⚠ 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 | |
|---|---|---|---|---|
| Vinyl Chloride SCHEMBL27667380 | 0.78 | — | — | |
| Water SCHEMBL27443654 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL25368805 | 0.76 | — | — | |
| Fluoride SCHEMBL29030276 | 0.76 | — | — | |
| Lithium SCHEMBL30042435 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL29577633 | 0.73 | — | — | |
| SCHEMBL29202943 | 0.73 | — | — | |
| Charcoal, Activated SCHEMBL29988546 | 0.73 | — | — | |
| Water SCHEMBL11697337 | 0.73 | — | — | |
| SCHEMBL31102274 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1037271-A | Stable dandruff shampoo Compositions | PROCTER & GAMBLE (US) | 1989-11-22 | — | — | CN | claimed |