⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5267535 | 0.78 | RARB (0.38) | — | |
| SCHEMBL13950640 | 0.61 | KRAS (0.39) | — | |
| SCHEMBL9836682 | 0.61 | RARB (0.41) | — | |
| SCHEMBL9580605 | 0.61 | RARB (0.38) | — | |
| SCHEMBL21357272 | 0.61 | — | — | |
| SCHEMBL19433833 | 0.60 | CYP1A2 (0.40) | — | |
| SCHEMBL3641236 | 0.60 | CYP1A2 (0.36) | — | |
| SCHEMBL6368904 | 0.58 | RARB (0.43) | — | |
| SCHEMBL3646402 | 0.58 | — | — | |
| SCHEMBL4495310 | 0.56 | CYP1A2 (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2167621-B1 | ORGANIC COMPOUNDS AS ODORANTS | GIVAUDAN SA (CH) | 2017-10-11 | — | — | EP | disclosed |
| US-9012391-B2 | Organic compounds | GIVAUDAN SA (CH) | 2015-04-21 | — | — | US | disclosed |
| US-20100292128-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2010-11-18 | — | — | US | disclosed |
| EP-2167621-A1 | ORGANIC COMPOUNDS | Givaudan SA (CH) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008151455-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2008-12-18 | — | — | WO | disclosed |