⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13041528 | 0.86 | PPARA (0.30) | — | |
| SCHEMBL13078144 | 0.76 | PTGS1 (0.31) | — | |
| SCHEMBL13077792 | 0.76 | KDM4E (0.38) | — | |
| SCHEMBL10238089 | 0.74 | — | — | |
| SCHEMBL13058546 | 0.74 | — | — | |
| SCHEMBL13077787 | 0.73 | — | — | |
| SCHEMBL13078054 | 0.73 | PTGDR2 (0.34) | — | |
| SCHEMBL13077790 | 0.72 | L3MBTL1 (0.43) | — | |
| SCHEMBL13077789 | 0.72 | NMUR2 (0.30) | — | |
| SCHEMBL13041406 | 0.71 | NPC1 (0.36) | — |
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-20100279868-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-11-04 | — | — | US | disclosed |