⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL532162 | 0.72 | — | — | |
| SCHEMBL10945424 | 0.69 | CYP19A1 (0.34) | — | |
| SCHEMBL2933709 | 0.69 | MEN1 (0.32) | — | |
| Ethylene SCHEMBL7382155 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL3464025 | 0.68 | TRIM24 (0.33) | — | |
| SCHEMBL7357702 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL18289458 | 0.66 | — | — | |
| SCHEMBL2856792 | 0.64 | BRD4 (0.30) | — | |
| SCHEMBL2860921 | 0.63 | — | — | |
| SCHEMBL5040151 | 0.62 | MEN1 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100240689-A1 | N-ARYL AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT, INC. (US) | 2010-09-23 | — | — | US | disclosed |
| US-7754708-B2 | N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2010-07-13 | — | — | US | disclosed |
| US-20080242689-A1 | Analgesics, central nervous system disorders, obesity, side effect reduction | BHATTI BALWINDER | 2008-10-02 | — | — | US | disclosed |
| US-7384929-B2 | N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2008-06-10 | — | — | US | disclosed |
| US-20060074067-A1 | N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof | BHATTI BALWINDER | 2006-04-06 | — | — | US | disclosed |