⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22505022 | 0.88 | — | — | |
| SCHEMBL20104437 | 0.87 | — | — | |
| SCHEMBL20104541 | 0.87 | — | — | |
| SCHEMBL23811223 | 0.84 | POLB (0.33) | — | |
| SCHEMBL20104487 | 0.83 | — | — | |
| SCHEMBL20104472 | 0.83 | — | — | |
| SCHEMBL31248457 | 0.83 | — | — | |
| SCHEMBL23811206 | 0.83 | — | — | |
| SCHEMBL20104432 | 0.82 | TRPV1 (0.31) | — | |
| SCHEMBL23811227 | 0.79 | PIK3CA (0.30) | — |
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-2018077565-A1 | PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2018-05-03 | — | — | WO | disclosed |