⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24369944 | 0.89 | POLB (0.32) | — | |
| SCHEMBL30958300 | 0.88 | — | — | |
| SCHEMBL22683338 | 0.88 | — | — | |
| SCHEMBL20633533 | 0.86 | — | — | |
| SCHEMBL22201192 | 0.86 | MAPT (0.34) | — | |
| SCHEMBL22201188 | 0.86 | PTGS2 (0.31) | — | |
| SCHEMBL22201184 | 0.85 | — | — | |
| SCHEMBL22201108 | 0.85 | PDE2A (0.32) | — | |
| SCHEMBL22201177 | 0.84 | — | — | |
| SCHEMBL17697064 | 0.84 | PTGS2 (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 |
|---|---|---|---|---|---|---|---|
| US-20200216441-A1 | PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2020-07-09 | — | — | US | disclosed |