⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6967604 | 0.80 | HPGD (0.37) | — | |
| SCHEMBL6967609 | 0.80 | HPGD (0.37) | — | |
| SCHEMBL8477742 | 0.72 | — | — | |
| SCHEMBL6963970 | 0.66 | KMT2A (0.36) | — | |
| SCHEMBL20320324 | 0.64 | NPBWR1 (0.42) | — | |
| SCHEMBL6966623 | 0.63 | KMT2A (0.34) | — | |
| SCHEMBL13575139 | 0.61 | HCAR2 (0.36) | — | |
| SCHEMBL12261572 | 0.61 | NPBWR1 (0.42) | — | |
| SCHEMBL20020392 | 0.59 | KMT2A (0.56) | — | |
| SCHEMBL15614321 | 0.58 | ADRA2A (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889033-B1 | ALPHA-SUBSTITUTED BENZYL HETEROCYCLIC DERIVATIVES, INTERMEDIATES FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT | SHIONOGI & CO (JP) | 2003-01-08 | — | — | EP | disclosed |
| US-6329371-B1 | HERBICIDES OR FUNGICIDES | SHIONOGI & CO., LTD. (JP) | 2001-12-11 | — | — | US | disclosed |
| US-6136837-A | α-substituted benzyl heterocyclic derivatives, intermediates for producing the same and agrochemical composition containing the same as active ingredient | SHIONOGI & CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-0889033-A1 | ALPHA-SUBSTITUTED BENZYL HETEROCYCLIC DERIVATIVES, INTERMEDIATES FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT | SHIONOGI & CO., LTD. (JP) | 1999-01-07 | — | — | EP | disclosed |