⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21720113 | 0.82 | GABRA1 (0.33) | — | |
| SCHEMBL11922137 | 0.76 | GABRA1 (0.30) | — | |
| SCHEMBL22096412 | 0.75 | KIF11 (0.44) | — | |
| SCHEMBL23219398 | 0.71 | ACLY (0.36) | — | |
| SCHEMBL1755694 | 0.70 | DAO (0.44) | — | |
| SCHEMBL16017561 | 0.69 | HTR1D (0.36) | — | |
| SCHEMBL10211574 | 0.69 | GABRA1 (0.34) | — | |
| SCHEMBL21041302 | 0.68 | CYP19A1 (0.31) | — | |
| SCHEMBL18798721 | 0.68 | — | — | |
| SCHEMBL20937835 | 0.67 | ALDH1A1 (0.40) | — |
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-20230142565-A1 | MICROBIOCIDAL QUINOLINE DIHYDRO-(THIAZINE)OXAZINE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2023-05-11 | — | — | US | disclosed |