⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18827130 | 1.00 | — | — | |
| SCHEMBL13837999 | 0.88 | — | — | |
| SCHEMBL12896336 | 0.85 | — | — | |
| SCHEMBL10086045 | 0.85 | — | — | |
| SCHEMBL24245829 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL21064733 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL18789478 | 0.81 | — | — | |
| SCHEMBL10086112 | 0.81 | — | — | |
| SCHEMBL12897119 | 0.81 | — | — | |
| SCHEMBL24245769 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9644171-B2 | Cyclic acetals and ketals and use thereof as fragrance | SYMRISE AG (DE) | 2017-05-09 | — | — | US | disclosed |