⚠ 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 | 0.93 | S1PR1 (0.30) | — | |
| SCHEMBL22201103 | 0.91 | — | — | |
| SCHEMBL22201195 | 0.90 | — | — | |
| SCHEMBL22201188 | 0.90 | PTGS2 (0.31) | — | |
| SCHEMBL22201192 | 0.90 | MAPT (0.34) | — | |
| SCHEMBL22201184 | 0.89 | — | — | |
| SCHEMBL22201177 | 0.88 | — | — | |
| SCHEMBL22201190 | 0.87 | — | — | |
| SCHEMBL22201182 | 0.87 | — | — | |
| SCHEMBL22201082 | 0.86 | SCN9A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3778599-A2 | PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2021-02-17 | — | — | EP | disclosed |
| EP-3778598-A2 | PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2021-02-17 | — | — | EP | disclosed |