⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19725903 | 0.83 | — | — | |
| SCHEMBL17949447 | 0.80 | PDE10A (0.35) | — | |
| SCHEMBL24286321 | 0.79 | CYP11B1 (0.31) | — | |
| SCHEMBL20847510 | 0.76 | POLB (0.32) | — | |
| SCHEMBL17949563 | 0.74 | PDE10A (0.34) | — | |
| SCHEMBL24285905 | 0.74 | — | — | |
| SCHEMBL24286075 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL19715871 | 0.73 | PDE10A (0.33) | — | |
| SCHEMBL22201105 | 0.72 | — | — | |
| SCHEMBL23771295 | 0.72 | P2RX7 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016116338-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-07-28 | — | — | WO | disclosed |