⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2601233 | 0.89 | — | — | |
| Acetone SCHEMBL9815295 | 0.84 | — | — | |
| Carbon Monoxide SCHEMBL11578405 | 0.70 | LMNA (0.46) | — | |
| Carbon Monoxide SCHEMBL11116419 | 0.70 | LMNA (0.46) | — | |
| Carbon Monoxide SCHEMBL10391071 | 0.70 | LMNA (0.46) | — | |
| Carbon Monoxide SCHEMBL11576068 | 0.70 | LMNA (0.46) | — | |
| SCHEMBL30119082 | 0.67 | — | — | |
| SCHEMBL1031959 | 0.67 | — | — | |
| Acetic Acid SCHEMBL11141022 | 0.67 | CA1 (0.73) | — | |
| Acetic Acid SCHEMBL7459123 | 0.67 | CA1 (0.73) | — |
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-0083094-B1 | PREPARATION OF RHODIUM COMPLEX COMPOUNDS | UNION CARBIDE CORPORATION (US) | 1985-01-09 | — | — | EP | disclosed |