⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29557153 | 0.89 | NPC1 (0.30) | — | |
| SCHEMBL115249 | 0.89 | NPC1 (0.30) | — | |
| SCHEMBL1919784 | 0.87 | — | — | |
| SCHEMBL15497471 | 0.79 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL12770866 | 0.78 | — | — | |
| SCHEMBL12698598 | 0.77 | — | — | |
| SCHEMBL7597895 | 0.75 | — | — | |
| SCHEMBL21277310 | 0.70 | CNR1 (0.31) | — | |
| SCHEMBL13184359 | 0.70 | — | — | |
| SCHEMBL15892638 | 0.70 | — | — |
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-20120083413-A1 | CYTOCHROME P450 GENES CONFERRING HERBICIDE RESISTANCE | SYNGENTA PARTICIPATIONS AG | 2012-04-05 | — | — | US | disclosed |