⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL701626 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL23162698 | 0.83 | GAA (0.30) | — | |
| SCHEMBL22444327 | 0.62 | — | — | |
| SCHEMBL17312152 | 0.62 | — | — | |
| SCHEMBL22554805 | 0.62 | — | — | |
| SCHEMBL26135363 | 0.62 | — | — | |
| SCHEMBL22732394 | 0.62 | — | — | |
| SCHEMBL22732393 | 0.62 | — | — | |
| SCHEMBL1617627 | 0.62 | — | — | |
| SCHEMBL1545692 | 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-20110105548-A1 | N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT, INC. (US) | 2011-05-05 | — | — | US | disclosed |
| US-7572814-B2 | 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds | CYTOKINETICS, INCORPORATED (US) | 2009-08-11 | — | — | US | disclosed |
| US-20070161674-A1 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. | 2007-07-12 | — | — | US | disclosed |
| WO-2004009599-A1 | FIVE-MEMBERED HETEROAROMATIC OLEFINIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NCOTINIC CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2004-01-29 | — | — | WO | disclosed |