⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21376198 | 0.90 | — | — | |
| SCHEMBL21376143 | 0.83 | JAK2 (0.31) | — | |
| SCHEMBL20043151 | 0.83 | — | — | |
| SCHEMBL21375974 | 0.82 | MCHR1 (0.32) | — | |
| SCHEMBL24360760 | 0.81 | — | — | |
| SCHEMBL18179828 | 0.81 | — | — | |
| SCHEMBL24361081 | 0.80 | — | — | |
| SCHEMBL18173823 | 0.80 | — | — | |
| SCHEMBL24361308 | 0.79 | — | — | |
| SCHEMBL24360753 | 0.79 | — | — |
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-3656770-A2 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES | Syngenta Participations AG (CH) | 2020-05-27 | — | — | EP | disclosed |
| EP-3286187-B1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES | SYNGENTA PARTICIPATIONS AG (CH) | 2019-09-18 | — | — | EP | disclosed |