⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11019570 | 0.78 | ALOX15 (0.46) | — | |
| SCHEMBL809010 | 0.77 | — | — | |
| (-)-Linalool SCHEMBL29545090 | 0.76 | ALOX15 (0.61) | — | |
| SCHEMBL4277832 | 0.75 | — | — | |
| SCHEMBL1698052 | 0.75 | KMT2A (0.41) | — | |
| SCHEMBL15167313 | 0.74 | — | — | |
| SCHEMBL9326454 | 0.73 | ALOX15 (0.38) | — | |
| SCHEMBL2012222 | 0.73 | — | — | |
| SCHEMBL4232654 | 0.72 | ALOX15 (0.42) | — | |
| SCHEMBL8465057 | 0.71 | ALOX15 (0.41) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8222200-B2 | Organic compounds | GIVAUDAN SA (CH) | 2012-07-17 | — | — | US | claimed |
| EP-1613587-B1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2009-12-30 | — | — | EP | claimed |
| US-20060270588-A1 | Organic compounds | GIVAUDAN SA (CH) | 2006-11-30 | — | — | US | claimed |
| US-8222200-B2 | Organic compounds | GIVAUDAN SA (CH) | 2012-07-17 | — | — | US | disclosed |
| EP-1613587-B1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2009-12-30 | — | — | EP | disclosed |
| US-20060270588-A1 | Organic compounds | GIVAUDAN SA (CH) | 2006-11-30 | — | — | US | disclosed |