⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18964274 | 0.78 | — | — | |
| SCHEMBL291406 | 0.73 | — | — | |
| SCHEMBL291875 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL26531503 | 0.72 | — | — | |
| SCHEMBL22133014 | 0.70 | — | — | |
| SCHEMBL4822911 | 0.69 | — | — | |
| SCHEMBL26167082 | 0.69 | — | — | |
| SCHEMBL21887192 | 0.67 | — | — | |
| SCHEMBL22722807 | 0.65 | — | — | |
| SCHEMBL819553 | 0.64 | TSHR (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2220019-A1 | HOMOALLYL ALCOHOLS USEFUL AS FRAGRANCES | Givaudan SA (CH) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009065244-A1 | HOMOALLYL ALCOHOLS USEFUL AS FRAGRANCES | GIVAUDAN SA (CH) | 2009-05-28 | — | — | WO | disclosed |