⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9990819 | 1.00 | — | — | |
| SCHEMBL301018 | 1.00 | — | — | |
| SCHEMBL301090 | 1.00 | — | — | |
| SCHEMBL3171223 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL22531839 | 0.97 | — | — | |
| SCHEMBL301146 | 0.97 | — | — | |
| SCHEMBL3180439 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL17491838 | 0.92 | — | — | |
| SCHEMBL301250 | 0.91 | — | — | |
| SCHEMBL31416085 | 0.90 | — | — |
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-4595701-A | Reacting carbon monoxide and hydrogen in liquid phase in the presence of a rhodium and trialkylphosphine catalyst | AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1986-06-17 | — | — | US | disclosed |