⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24696119 | 0.85 | CYP1A2 (0.30) | — | |
| SCHEMBL17949388 | 0.83 | S1PR1 (0.33) | — | |
| SCHEMBL24285908 | 0.83 | — | — | |
| SCHEMBL21586227 | 0.82 | CYP1A2 (0.38) | — | |
| SCHEMBL30122232 | 0.82 | CYP1A2 (0.38) | — | |
| SCHEMBL24286740 | 0.82 | S1PR1 (0.30) | — | |
| SCHEMBL31534715 | 0.81 | DDR1 (0.31) | — | |
| SCHEMBL17967734 | 0.81 | DDR1 (0.31) | — | |
| SCHEMBL20468523 | 0.80 | DGAT1 (0.31) | — | |
| SCHEMBL17941403 | 0.80 | MEN1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3247712-B1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2022-04-20 | — | — | EP | disclosed |