⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4425977 | 0.97 | ADH1B (0.31) | — | |
| Hydrochloric Acid SCHEMBL14795062 | 0.94 | — | — | |
| SCHEMBL26192 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27501865 | 0.92 | — | — | |
| SCHEMBL1259819 | 0.88 | — | — | |
| SCHEMBL28206601 | 0.84 | ADH1B (0.33) | — | |
| SCHEMBL6050116 | 0.82 | — | — | |
| SCHEMBL18298064 | 0.76 | HTT (0.42) | — | |
| SCHEMBL10903267 | 0.75 | ADH1B (0.31) | — | |
| SCHEMBL10903248 | 0.74 | LMNA (0.41) | — |
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-107847765-A | The piperidine derivative of 1,4 substitutions | 赛福伦公司 | 2018-03-27 | — | — | CN | disclosed |