⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17459836 | 0.77 | JAK2 (0.35) | — | |
| SCHEMBL1131365 | 0.74 | CYP19A1 (0.38) | — | |
| SCHEMBL6999923 | 0.70 | CYP19A1 (0.38) | — | |
| SCHEMBL12915275 | 0.69 | NOTUM (0.30) | — | |
| SCHEMBL7268446 | 0.68 | CYP19A1 (0.38) | — | |
| SCHEMBL12879955 | 0.67 | FDPS (0.38) | — | |
| SCHEMBL26128240 | 0.67 | FDPS (0.34) | — | |
| SCHEMBL31010049 | 0.67 | MEN1 (0.33) | — | |
| SCHEMBL6616364 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL24662260 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5631264-A | NEUROLOGICAL DISORDERS | SANOFI WINTHROP, INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5554620-A | Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof | STERLING WINTHROP INC. (US) | 1996-09-10 | — | — | US | disclosed |
| EP-0656359-A1 | Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof | STERLING WINTHROP INC. (US) | 1995-06-07 | — | — | EP | disclosed |