⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10706540 | 0.98 | — | — | |
| SCHEMBL20219885 | 0.78 | — | — | |
| SCHEMBL11459994 | 0.76 | INMT (0.46) | — | |
| SCHEMBL11459992 | 0.76 | INMT (0.46) | — | |
| SCHEMBL11033145 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11466308 | 0.71 | INMT (0.41) | — | |
| SCHEMBL3222391 | 0.71 | — | — | |
| SCHEMBL11033144 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11466307 | 0.71 | INMT (0.41) | — | |
| SCHEMBL12753020 | 0.70 | GRM5 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0110298-B1 | ACRIDANONE DERIVATIVES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1988-06-01 | — | — | EP | claimed |
| EP-0110298-B1 | ACRIDANONE DERIVATIVES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1988-06-01 | — | — | EP | disclosed |
| US-4711889-A | Schistosomicidal acridanone hydrazones | HOFFMAN-LA ROCHE INC. (US) | 1987-12-08 | — | — | US | disclosed |