⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9137291 | 0.76 | P2RX7 (0.31) | — | |
| SCHEMBL15612368 | 0.55 | PGR (0.31) | — | |
| SCHEMBL936581 | 0.55 | — | — | |
| SCHEMBL313750 | 0.54 | — | — | |
| SCHEMBL17958953 | 0.53 | — | — | |
| SCHEMBL231035 | 0.46 | — | — | |
| SCHEMBL2774087 | 0.46 | APAF1 (0.36) | — | |
| SCHEMBL7290529 | 0.46 | ALDH1A1 (0.34) | — | |
| SCHEMBL11069730 | 0.46 | — | — | |
| SCHEMBL18138372 | 0.45 | — | — |
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 |