⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9494748 | 1.00 | — | — | |
| SCHEMBL9494834 | 0.89 | — | — | |
| SCHEMBL9494827 | 0.89 | — | — | |
| SCHEMBL10876986 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL9492399 | 0.83 | — | — | |
| SCHEMBL9492404 | 0.83 | — | — | |
| SCHEMBL9494024 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL9494018 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL9492279 | 0.82 | — | — | |
| SCHEMBL9493987 | 0.82 | — | — |
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-0494047-A1 | Use of carbazones for the treatment of rheumatoid diseases | CIBA-GEIGY AG (CH) | 1992-07-08 | — | — | EP | claimed |
| US-5177091-A | Rheumatic disorders | CIBA-GEIGY CORPORATION (US) | 1993-01-05 | — | — | US | disclosed |
| EP-0494047-A1 | Use of carbazones for the treatment of rheumatoid diseases | CIBA-GEIGY AG (CH) | 1992-07-08 | — | — | EP | disclosed |