⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6916213 | 0.78 | CA4 (0.33) | — | |
| SCHEMBL2469866 | 0.76 | — | — | |
| SCHEMBL4169727 | 0.72 | — | — | |
| SCHEMBL6625298 | 0.69 | — | — | |
| SCHEMBL196119 | 0.67 | — | — | |
| SCHEMBL8933211 | 0.67 | — | — | |
| SCHEMBL23360778 | 0.65 | CA1 (0.44) | — | |
| SCHEMBL4612912 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL27802633 | 0.62 | — | — | |
| SCHEMBL27823452 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4361563-A | CARDIOTONIC, ANTITHROMBOTIC | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-11-30 | — | — | US | disclosed |