⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20467436 | 0.71 | — | — | |
| SCHEMBL18433284 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL26150703 | 0.68 | — | — | |
| SCHEMBL25987128 | 0.67 | — | — | |
| SCHEMBL20467433 | 0.67 | — | — | |
| SCHEMBL20124877 | 0.65 | — | — | |
| SCHEMBL18733183 | 0.65 | — | — | |
| SCHEMBL7926594 | 0.65 | — | — | |
| SCHEMBL23901517 | 0.64 | — | — | |
| SCHEMBL17265275 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2621462-B1 | ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR | PROCTER & GAMBLE (US) | 2020-02-12 | — | — | EP | disclosed |