⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5513640 | 0.97 | — | — | |
| SCHEMBL28822385 | 0.94 | ODC1 (0.45) | — | |
| SCHEMBL27747996 | 0.94 | ODC1 (0.45) | — | |
| SCHEMBL8091891 | 0.94 | — | — | |
| SCHEMBL12230876 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL31712150 | 0.91 | — | — | |
| Sulfuric Acid SCHEMBL8753134 | 0.87 | ODC1 (0.36) | — | |
| SCHEMBL17770697 | 0.87 | — | — | |
| SCHEMBL1038811 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL3889714 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5610195-A | ANTITUMOR AGENTS | CIBA-GEIGY CORPORATION (US) | 1997-03-11 | — | — | US | claimed |