⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31522952 | 0.73 | — | — | |
| SCHEMBL15536860 | 0.61 | — | — | |
| SCHEMBL14940650 | 0.60 | — | — | |
| SCHEMBL6359501 | 0.59 | — | — | |
| SCHEMBL31481251 | 0.58 | MEN1 (0.36) | — | |
| SCHEMBL3815799 | 0.58 | — | — | |
| SCHEMBL31084281 | 0.57 | — | — | |
| SCHEMBL16649247 | 0.56 | HTT (0.32) | — | |
| SCHEMBL20658834 | 0.53 | — | — | |
| SCHEMBL4073685 | 0.48 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3154973-A1 | TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | Bristol-Myers Squibb Company (US) | 2017-04-19 | — | — | EP | disclosed |
| WO-2015191403-A1 | TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-12-17 | — | — | WO | disclosed |