⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8175025 | 0.87 | — | — | |
| SCHEMBL7740209 | 0.85 | — | — | |
| SCHEMBL7755895 | 0.75 | CYP11B1 (0.30) | — | |
| SCHEMBL6594484 | 0.74 | NLRP3 (0.34) | — | |
| SCHEMBL6593077 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL6592931 | 0.70 | PGR (0.31) | — | |
| SCHEMBL5844807 | 0.70 | NR3C1 (0.32) | — | |
| SCHEMBL5844534 | 0.69 | RXRA (0.31) | — | |
| SCHEMBL7745256 | 0.68 | CYP4F2 (0.42) | — | |
| SCHEMBL8896947 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997026248-A1 | SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-24 | — | — | WO | disclosed |