⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9713659 | 0.78 | MEN1 (0.44) | — | |
| SCHEMBL10454309 | 0.77 | APP (0.57) | — | |
| SCHEMBL29661768 | 0.74 | — | — | |
| SCHEMBL97071 | 0.74 | — | — | |
| SCHEMBL19526557 | 0.72 | — | — | |
| SCHEMBL1055399 | 0.72 | — | — | |
| SCHEMBL31043350 | 0.72 | — | — | |
| SCHEMBL1547899 | 0.72 | — | — | |
| SCHEMBL24300008 | 0.70 | APP (0.47) | — | |
| SCHEMBL4572237 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9938253-B2 | Catalysts for efficient Z-selective metathesis | TRUSTEES OF BOSTON COLLEGE (US) | 2018-04-10 | — | — | US | disclosed |
| 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 |