⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9687572 | 0.64 | — | — | |
| SCHEMBL611093 | 0.64 | — | — | |
| SCHEMBL6668165 | 0.62 | — | — | |
| SCHEMBL8002495 | 0.61 | — | — | |
| SCHEMBL6556320 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL8438325 | 0.59 | — | — | |
| SCHEMBL30201312 | 0.55 | ADRB2 (0.30) | — | |
| SCHEMBL5569849 | 0.53 | — | — | |
| SCHEMBL17754475 | 0.52 | — | — | |
| SCHEMBL1919608 | 0.52 | — | — |
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-20100113502-A1 | Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands | ASTRAZENECA AB (SE) | 2010-05-06 | — | — | US | disclosed |