⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14434752 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL25022992 | 0.71 | CACNA2D1 (0.39) | — | |
| SCHEMBL10535995 | 0.68 | — | — | |
| SCHEMBL27539988 | 0.67 | MCL1 (0.39) | — | |
| SCHEMBL18742993 | 0.66 | TSHR (0.35) | — | |
| SCHEMBL13788284 | 0.64 | — | — | |
| SCHEMBL20381096 | 0.64 | — | — | |
| SCHEMBL7591423 | 0.64 | — | — | |
| SCHEMBL13077370 | 0.64 | — | — | |
| SCHEMBL13039746 | 0.64 | TDP1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2203417-B1 | SUBSTITUTED OCTANE(ENE) NITRILES, METHODS FOR THE SYNTHESIS THEREOF AND USES THEREOF IN PERFUMERY | MANE FILS V (FR) | 2013-11-06 | — | — | EP | 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-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 |
| WO-2009056756-A9 | SUBSTITUTED OCTANE(ENE) NITRILES, METHODS FOR THE SYNTHESIS THEREOF AND USES THEREOF IN PERFUMERY | V. MANE FILS (FR) | 2010-11-04 | — | — | WO | 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 |
| WO-2009056756-A1 | SUBSTITUTED OCTANE(ENE) NITRILES, METHODS FOR THE SYNTHESIS THEREOF AND USES THEREOF IN PERFUMERY | — | 2009-05-07 | — | — | WO | disclosed |