⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19884204 | 0.60 | — | — | |
| SCHEMBL24880550 | 0.57 | — | — | |
| SCHEMBL27550017 | 0.52 | — | — | |
| SCHEMBL26728082 | 0.51 | MAPK1 (0.38) | — | |
| SCHEMBL18617032 | 0.51 | — | — | |
| SCHEMBL18576554 | 0.51 | MGLL (0.35) | — | |
| SCHEMBL19528801 | 0.51 | — | — | |
| SCHEMBL27192749 | 0.51 | NOS3 (0.31) | — | |
| SCHEMBL15170910 | 0.50 | TLR4 (0.33) | — | |
| SCHEMBL17019614 | 0.50 | — | — |
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-1939204-B3 | FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF | KISSEI PHARMACEUTICAL (JP) | 2022-08-24 | — | — | EP | disclosed |