⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28688743 | 0.63 | DHODH (0.33) | — | |
| SCHEMBL28908953 | 0.60 | — | — | |
| SCHEMBL31191909 | 0.60 | — | — | |
| SCHEMBL10778290 | 0.59 | CYP3A4 (0.32) | — | |
| SCHEMBL1337924 | 0.59 | GRM8 (0.38) | — | |
| SCHEMBL7398484 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL8662463 | 0.57 | CYP3A4 (0.31) | — | |
| SCHEMBL10776105 | 0.55 | — | — | |
| SCHEMBL1746287 | 0.55 | — | — | |
| SCHEMBL31647951 | 0.55 | — | — |
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-0454121-B1 | Azatetracyclic compounds | SEARLE & CO (US) | 1996-11-13 | — | — | EP | claimed |
| EP-0454121-A2 | Azatetracyclic compounds | G.D. Searle & Co. (US) | 1991-10-30 | — | — | EP | claimed |