⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8328394 | 0.82 | ACHE (0.44) | — | |
| SCHEMBL1006780 | 0.67 | — | — | |
| SCHEMBL8333410 | 0.61 | — | — | |
| SCHEMBL4096902 | 0.61 | CTSA (0.43) | — | |
| SCHEMBL15649351 | 0.58 | ACHE (0.40) | — | |
| Methyl Alcohol SCHEMBL31536354 | 0.58 | ACHE (0.50) | — | |
| SCHEMBL6177020 | 0.57 | — | — | |
| SCHEMBL5438451 | 0.53 | — | — | |
| SCHEMBL7576931 | 0.52 | — | — | |
| SCHEMBL2268698 | 0.52 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948507-A1 | HYDROGENATION OF CYANOPHOSPHONATE DERIVATIVES | MONSANTO COMPANY (US) | 1999-10-13 | — | — | EP | disclosed |
| US-5905163-A | REDUCTION OF CYANO GROUP BY CATALYTIC HYDROGENATION | MONSANTO COMPANY (US) | 1999-05-18 | — | — | US | disclosed |
| WO-1998029423-A1 | HYDROGENATION OF CYANOPHOSPHONATE DERIVATIVES | MONSANTO COMPANY (US) | 1998-07-09 | — | — | WO | disclosed |