⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20043151 | 0.90 | — | — | |
| SCHEMBL18179710 | 0.84 | PRMT6 (0.34) | — | |
| SCHEMBL21376198 | 0.82 | — | — | |
| SCHEMBL24361074 | 0.79 | — | — | |
| SCHEMBL20047395 | 0.78 | POLB (0.30) | — | |
| SCHEMBL23398076 | 0.77 | — | — | |
| SCHEMBL23398052 | 0.77 | — | — | |
| SCHEMBL21974664 | 0.77 | — | — | |
| SCHEMBL20406049 | 0.76 | — | — | |
| SCHEMBL17949440 | 0.74 | DRD2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180099970-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-04-12 | — | — | US | disclosed |