⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8164070 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL15192055 | 0.69 | PGR (0.30) | — | |
| SCHEMBL2619379 | 0.67 | HTR2A (0.41) | — | |
| SCHEMBL30869312 | 0.67 | HTR2A (0.41) | — | |
| SCHEMBL17193795 | 0.64 | HTR5A (0.33) | — | |
| SCHEMBL23664231 | 0.63 | MAPT (0.38) | — | |
| SCHEMBL17193798 | 0.63 | PGR (0.37) | — | |
| SCHEMBL3158890 | 0.63 | BCL2L1 (0.35) | — | |
| SCHEMBL744528 | 0.61 | LMNA (0.35) | — | |
| SCHEMBL663734 | 0.61 | — | — |
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-117751119-A | Potassium channel modulators | 奥蒂福尼疗法有限公司 | 2024-03-22 | — | — | CN | disclosed |