⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8846017 | 0.98 | — | — | |
| SCHEMBL7671899 | 0.69 | CTSD (0.32) | — | |
| SCHEMBL671631 | 0.67 | CTSD (0.33) | — | |
| SCHEMBL2230540 | 0.65 | CTSD (0.43) | — | |
| Benzene SCHEMBL8467171 | 0.64 | — | — | |
| SCHEMBL10608676 | 0.60 | CTSD (0.30) | — | |
| SCHEMBL16758199 | 0.60 | — | — | |
| SCHEMBL6750291 | 0.59 | — | — | |
| SCHEMBL5705593 | 0.59 | — | — | |
| SCHEMBL8554251 | 0.59 | CTSD (0.33) | — |
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-5169817-A | CHROMIUM-CONTAINING COMPLEX POLYMERIZATION CATALYST | BP CHEMICALS LIMITED (GB) | 1992-12-08 | — | — | US | disclosed |