⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7966069 | 0.69 | HTR1A (0.37) | — | |
| SCHEMBL7965147 | 0.68 | CYP11B1 (0.31) | — | |
| SCHEMBL6530748 | 0.68 | CYP11B2 (0.34) | — | |
| SCHEMBL7965406 | 0.65 | — | — | |
| SCHEMBL30336272 | 0.63 | PDE3B (0.35) | — | |
| SCHEMBL29209037 | 0.63 | PDE3B (0.35) | — | |
| SCHEMBL29901598 | 0.63 | CHRM1 (0.46) | — | |
| SCHEMBL27434591 | 0.61 | L3MBTL1 (0.36) | — | |
| SCHEMBL8600208 | 0.61 | CYP11B2 (0.42) | — | |
| SCHEMBL6526548 | 0.59 | TERT (0.41) | — |
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 |