⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL27405648 | 0.92 | — | — | |
| SCHEMBL11379041 | 0.83 | — | — | |
| SCHEMBL1553337 | 0.81 | SHBG (0.56) | — | |
| SCHEMBL11700076 | 0.71 | SHBG (0.35) | — | |
| SCHEMBL8511691 | 0.71 | TP53 (0.32) | — | |
| SCHEMBL27550800 | 0.69 | — | — | |
| SCHEMBL8469204 | 0.67 | — | — | |
| SCHEMBL8238840 | 0.65 | — | — | |
| SCHEMBL8236066 | 0.65 | — | — | |
| SCHEMBL126585 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1982290-A | Fungicidal carboxamides | UNIV ARKANSAS (US) | 2007-06-20 | — | — | CN | disclosed |
| CN-1246845-A | Fungicidal carboxamides | DU PONT (US) | 2000-03-08 | — | — | CN | disclosed |