⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1289822 | 0.73 | — | — | |
| SCHEMBL12482099 | 0.73 | — | — | |
| SCHEMBL3795182 | 0.73 | — | — | |
| SCHEMBL293116 | 0.69 | — | — | |
| SCHEMBL14321520 | 0.65 | — | — | |
| SCHEMBL2786079 | 0.65 | — | — | |
| SCHEMBL3195573 | 0.65 | — | — | |
| Urea SCHEMBL509626 | 0.64 | — | — | |
| Urea SCHEMBL28326200 | 0.62 | ALDH1A1 (0.44) | — | |
| Acrylamide SCHEMBL29234787 | 0.62 | — | — |
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-0099538-B1 | CARBACYCLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-09-11 | — | — | EP | claimed |
| EP-0133674-B1 | NITROXYL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND DIAGNOSTIC AGENTS CONTAINING THEM | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-09-20 | — | — | EP | claimed |
| EP-0098793-B1 | CARBACYCLINE AMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-01-25 | — | — | EP | claimed |