⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13077789 | 0.90 | NMUR2 (0.30) | — | |
| SCHEMBL13078143 | 0.89 | GLA (0.36) | — | |
| SCHEMBL13041501 | 0.87 | POLB (0.35) | — | |
| SCHEMBL13041489 | 0.76 | POLB (0.34) | — | |
| SCHEMBL13077792 | 0.75 | KDM4E (0.38) | — | |
| SCHEMBL13078144 | 0.75 | PTGS1 (0.31) | — | |
| SCHEMBL13078056 | 0.75 | CRHR1 (0.33) | — | |
| SCHEMBL13041500 | 0.74 | GLA (0.38) | — | |
| SCHEMBL10237978 | 0.73 | POLB (0.33) | — | |
| SCHEMBL13078091 | 0.73 | — | — |
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 |