⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21820230 | 1.00 | — | — | |
| SCHEMBL21820192 | 0.89 | CYP1A2 (0.33) | — | |
| SCHEMBL21820317 | 0.88 | NCOA1 (0.33) | — | |
| SCHEMBL30236867 | 0.88 | NCOA1 (0.33) | — | |
| SCHEMBL30236725 | 0.86 | — | — | |
| SCHEMBL21820321 | 0.86 | — | — | |
| SCHEMBL13425000 | 0.84 | USP2 (0.33) | — | |
| SCHEMBL3095607 | 0.83 | TRPA1 (0.31) | — | |
| SCHEMBL3375288 | 0.83 | DPP4 (0.31) | — | |
| SCHEMBL3378607 | 0.83 | KCNH2 (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 |
|---|---|---|---|---|---|---|---|
| CN-110382505-B | Heterocyclic compounds useful as antibacterial agents and process for producing the same | 巴格沃克斯研究有限公司 | 2023-04-04 | — | — | CN | disclosed |