⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL987301 | 0.82 | ELANE (0.32) | — | |
| SCHEMBL12948988 | 0.82 | CYP26A1 (0.34) | — | |
| SCHEMBL10327013 | 0.82 | L3MBTL1 (0.37) | — | |
| SCHEMBL10326979 | 0.81 | ELANE (0.33) | — | |
| SCHEMBL12949064 | 0.81 | CYP26A1 (0.37) | — | |
| SCHEMBL10326946 | 0.80 | NPC1 (0.39) | — | |
| SCHEMBL10326774 | 0.80 | IDH1 (0.34) | — | |
| SCHEMBL10326958 | 0.80 | TBXA2R (0.33) | — | |
| SCHEMBL10326978 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL10326957 | 0.78 | ELANE (0.31) | — |
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-20120178623-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-07-12 | — | — | US | disclosed |