⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6673776 | 0.87 | CHRM2 (0.36) | — | |
| SCHEMBL4794552 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL16823825 | 0.75 | — | — | |
| SCHEMBL6612990 | 0.75 | SLC6A2 (0.37) | — | |
| SCHEMBL27766880 | 0.73 | GABRA5 (0.38) | — | |
| SCHEMBL7093891 | 0.72 | GPR119 (0.52) | — | |
| SCHEMBL6681927 | 0.72 | SLC6A4 (0.43) | — | |
| SCHEMBL7103043 | 0.72 | GPR119 (0.41) | — | |
| SCHEMBL6504809 | 0.71 | CHRM2 (0.31) | — | |
| SCHEMBL6622739 | 0.69 | BCHE (0.33) | — |
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-20020082262-A1 | Substituted bicyclic compounds for treating multidrug resistance | PROCTER & GAMBLE COMPANY, THE | 2002-06-27 | — | — | US | disclosed |