⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7965406 | 0.84 | — | — | |
| SCHEMBL12188290 | 0.76 | HTR1A (0.37) | — | |
| SCHEMBL5398338 | 0.74 | GPR35 (0.31) | — | |
| SCHEMBL5382406 | 0.74 | GRIN2D (0.32) | — | |
| SCHEMBL6971078 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL7559209 | 0.73 | GRIN2D (0.38) | — | |
| SCHEMBL7655980 | 0.72 | MAPT (0.32) | — | |
| SCHEMBL6965117 | 0.72 | GRIN2D (0.32) | — | |
| SCHEMBL6526548 | 0.70 | TERT (0.41) | — | |
| SCHEMBL6849141 | 0.70 | — | — |
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-6294503-B1 | HERBICIDAL COMPOSITIONS CONTAINING HETEROCYCLES | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2001-09-25 | — | — | US | disclosed |