⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8066903 | 0.96 | — | — | |
| SCHEMBL8558417 | 0.70 | GAA (0.41) | — | |
| SCHEMBL8081231 | 0.69 | HTR5A (0.36) | — | |
| SCHEMBL5322896 | 0.68 | HRH4 (0.32) | — | |
| SCHEMBL7258232 | 0.67 | HRH4 (0.34) | — | |
| SCHEMBL1258619 | 0.67 | TLR7 (0.33) | — | |
| SCHEMBL17525689 | 0.67 | POLB (0.41) | — | |
| SCHEMBL7259716 | 0.66 | HRH4 (0.36) | — | |
| SCHEMBL8587008 | 0.66 | CA12 (0.35) | — | |
| SCHEMBL1260121 | 0.65 | — | — |
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-6159994-A | Histamine H3 receptor ligands | JAMES BLACK FOUNDATION (GB) | 2000-12-12 | — | — | US | disclosed |