⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20330508 | 0.75 | — | — | |
| SCHEMBL16446288 | 0.68 | NPC1 (0.30) | — | |
| SCHEMBL17562981 | 0.67 | KMT2A (0.42) | — | |
| SCHEMBL18121942 | 0.66 | — | — | |
| SCHEMBL16446012 | 0.65 | — | — | |
| SCHEMBL20299199 | 0.64 | CCR9 (0.31) | — | |
| SCHEMBL17562974 | 0.63 | ALOX15 (0.45) | — | |
| SCHEMBL16446276 | 0.63 | — | — | |
| SCHEMBL17562977 | 0.62 | ALOX15 (0.35) | — | |
| SCHEMBL21517800 | 0.62 | USP2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3558976-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | disclosed |