⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6747400 | 1.00 | — | — | |
| SCHEMBL6745650 | 0.80 | CPB1 (0.31) | — | |
| SCHEMBL6745649 | 0.80 | CPB1 (0.31) | — | |
| SCHEMBL7142983 | 0.73 | HRH3 (0.33) | — | |
| SCHEMBL7142985 | 0.73 | HRH3 (0.33) | — | |
| SCHEMBL6747271 | 0.70 | ITGB3 (0.34) | — | |
| SCHEMBL6749057 | 0.67 | HSD11B1 (0.44) | — | |
| SCHEMBL6747648 | 0.66 | BRD4 (0.32) | — | |
| SCHEMBL27238587 | 0.65 | CYP4F2 (0.31) | — | |
| Oxalic Acid SCHEMBL7148808 | 0.64 | HSD11B1 (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 |
|---|---|---|---|---|---|---|---|
| US-20040092737-A1 | Benzopiperidine derivatives | EISAI CO., LTD. | 2004-05-13 | — | — | US | disclosed |