⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20621313 | 0.88 | NOS3 (0.31) | — | |
| SCHEMBL24833024 | 0.77 | CCR1 (0.41) | — | |
| SCHEMBL19779245 | 0.77 | NOS3 (0.31) | — | |
| SCHEMBL23693838 | 0.76 | HRH4 (0.36) | — | |
| SCHEMBL24574394 | 0.73 | USP2 (0.30) | — | |
| SCHEMBL21173560 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL23685266 | 0.72 | — | — | |
| SCHEMBL19769066 | 0.71 | ADRA2A (0.35) | — | |
| SCHEMBL19769054 | 0.71 | ADRA2A (0.35) | — | |
| SCHEMBL15740563 | 0.70 | NOS3 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114901663-B | Aromatic heterocyclic compounds and application thereof in medicines | 上海喆邺生物科技有限公司 | 2024-07-02 | — | — | CN | disclosed |