⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2129965 | 1.00 | — | — | |
| SCHEMBL2789580 | 0.84 | ALDH1A1 (0.62) | — | |
| SCHEMBL641747 | 0.84 | ALDH1A1 (0.62) | — | |
| SCHEMBL9298131 | 0.79 | F2 (0.67) | — | |
| SCHEMBL9298138 | 0.79 | F2 (0.67) | — | |
| SCHEMBL9431386 | 0.75 | — | — | |
| SCHEMBL9431675 | 0.75 | — | — | |
| SCHEMBL629218 | 0.75 | — | — | |
| SCHEMBL9431671 | 0.75 | — | — | |
| SCHEMBL2167348 | 0.75 | — | — |
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-1910264-B1 | AROMA COMPOSITION AND METHOD | MARS INC (US) | 2012-04-25 | — | — | EP | disclosed |