⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8595604 | 0.73 | TRPA1 (0.41) | — | |
| SCHEMBL13455861 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL11228870 | 0.66 | — | — | |
| SCHEMBL11228868 | 0.66 | — | — | |
| SCHEMBL26448894 | 0.66 | — | — | |
| SCHEMBL26448904 | 0.66 | — | — | |
| SCHEMBL23748015 | 0.62 | ALDH1A1 (0.30) | — | |
| SCHEMBL11048668 | 0.62 | — | — | |
| SCHEMBL17512186 | 0.62 | TRPA1 (0.36) | — | |
| SCHEMBL233254 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8349790-B2 | Substituted octane(ene) nitriles, methods for the synthesis thereof and uses thereof in perfumery | V. MANE FILS (FR) | 2013-01-08 | — | — | US | disclosed |
| US-8349790-B2 | Substituted octane(ene) nitriles, methods for the synthesis thereof and uses thereof in perfumery | V. MANE FILS (FR) | 2013-01-08 | — | — | US | disclosed |
| US-20100279917-A1 | SUBSTITUTED OCTANE(ENE) NITRILES, METHODS FOR THE SYNTHESIS THEREOF AND USES THEREOF IN PERFUMERY | V. MANE FILS (FR) | 2010-11-04 | — | — | US | disclosed |
| US-20100279917-A1 | SUBSTITUTED OCTANE(ENE) NITRILES, METHODS FOR THE SYNTHESIS THEREOF AND USES THEREOF IN PERFUMERY | V. MANE FILS (FR) | 2010-11-04 | — | — | US | disclosed |