⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22201187 | 0.86 | S1PR1 (0.30) | — | |
| SCHEMBL20847510 | 0.84 | POLB (0.32) | — | |
| SCHEMBL22189384 | 0.83 | — | — | |
| SCHEMBL20634568 | 0.82 | — | — | |
| SCHEMBL22189307 | 0.81 | — | — | |
| SCHEMBL22991277 | 0.79 | — | — | |
| SCHEMBL22201103 | 0.78 | — | — | |
| SCHEMBL22201184 | 0.77 | — | — | |
| SCHEMBL22201188 | 0.76 | PTGS2 (0.31) | — | |
| SCHEMBL22201192 | 0.76 | MAPT (0.34) | — |
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 |