⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11117920 | 0.82 | HTR2A (0.31) | — | |
| SCHEMBL4066352 | 0.80 | PDE7A (0.32) | — | |
| SCHEMBL1982483 | 0.77 | — | — | |
| SCHEMBL5463113 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL3952752 | 0.73 | MAOA (0.30) | — | |
| SCHEMBL7319575 | 0.72 | — | — | |
| SCHEMBL503407 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL9192338 | 0.72 | — | — | |
| SCHEMBL2427059 | 0.72 | — | — | |
| SCHEMBL7311317 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040063729-A1 | Microbiocides | BAYER CROPSCIENCE K. K. (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-0097270-A1 | Organophosphate derivatives | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1984-01-04 | — | — | EP | disclosed |