⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL699782 | 0.73 | APP (0.64) | — | |
| SCHEMBL699783 | 0.73 | APP (0.64) | — | |
| SCHEMBL28663536 | 0.71 | — | — | |
| SCHEMBL67142 | 0.71 | — | — | |
| SCHEMBL10597056 | 0.71 | HDAC8 (0.50) | — | |
| SCHEMBL9781511 | 0.69 | — | — | |
| SCHEMBL5309529 | 0.69 | — | — | |
| SCHEMBL21043598 | 0.69 | — | — | |
| SCHEMBL96637 | 0.69 | — | — | |
| SCHEMBL316955 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1226108-A4 | DIARYL-ENYNES | NPS ALLELIX CORP (CA) | 2004-06-16 | — | — | EP | disclosed |
| US-6579987-B2 | Reducing an ester containing ene-yne conjugated, silane and aryl or heteroaryl functionality to an alcohol; bromination, amination, desilanation, coupling and deprotecting | NPS ALLELIX CORPORATION (CA) | 2003-06-17 | — | — | US | disclosed |
| US-20030092769-A1 | DIARYL-ENYNES | NPS ALLELIX CORPORATION (CA) | 2003-05-15 | — | — | US | disclosed |
| US-6525085-B2 | Treating neurological and neuropsychiatric disorders | NPS ALLELIX CORP. (CA) | 2003-02-25 | — | — | US | disclosed |
| US-20020169197-A1 | Diaryl-enynes | NPS ALLELIX CORP. | 2002-11-14 | — | — | US | disclosed |
| EP-1226108-A1 | DIARYL-ENYNES | NPS Allelix Corp. (CA) | 2002-07-31 | — | — | EP | disclosed |
| US-6426364-B1 | NERVOUS SYSTEM OR PSYCHOLOGICAL DISORDERS | NPS ALLELIX CORP. (CA) | 2002-07-30 | — | — | US | disclosed |
| WO-2001032602-A1 | DIARYL-ENYNES | NPS ALLELIX CORP. (CA) | 2001-05-10 | — | — | WO | disclosed |