⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9800329 | 0.70 | HSD17B10 (0.34) | — | |
| SCHEMBL12706322 | 0.67 | HSD17B10 (0.33) | — | |
| SCHEMBL28962624 | 0.66 | ALDH1A1 (0.37) | — | |
| SCHEMBL30712219 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL30712208 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL20408386 | 0.61 | TSHR (0.36) | — | |
| SCHEMBL180596 | 0.61 | — | — | |
| SCHEMBL141255 | 0.61 | HSD17B10 (0.44) | — | |
| SCHEMBL28734469 | 0.60 | ALOX5 (0.31) | — | |
| SCHEMBL4600579 | 0.59 | ALDH1A1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0049683-A2 | Imidazo-rifamycines, process for their preparation, pharmaceutical preparations containing them and their use | CIBA-GEIGY AG (CH) | 1982-04-14 | — | — | EP | disclosed |