⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17901849 | 0.88 | POLB (0.32) | — | |
| SCHEMBL30958295 | 0.83 | — | — | |
| SCHEMBL19755918 | 0.83 | — | — | |
| SCHEMBL20847450 | 0.80 | — | — | |
| SCHEMBL17901855 | 0.76 | POLB (0.33) | — | |
| SCHEMBL18179638 | 0.73 | — | — | |
| SCHEMBL21590030 | 0.72 | NPC1 (0.36) | — | |
| SCHEMBL18179639 | 0.72 | — | — | |
| SCHEMBL19755914 | 0.71 | — | — | |
| SCHEMBL17895956 | 0.71 | POLB (0.35) | — |
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-2016107831-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA CROP PROTECTION AG (CH) | 2016-07-07 | — | — | WO | disclosed |