⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6427486 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL27500107 | 0.68 | KDM4E (0.36) | — | |
| SCHEMBL226223 | 0.67 | KDM4E (0.36) | — | |
| SCHEMBL4200809 | 0.66 | KDM4E (0.37) | — | |
| SCHEMBL14901306 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL14333359 | 0.64 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL4361662 | 0.64 | KDM4E (0.33) | — | |
| SCHEMBL8135275 | 0.63 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL14901236 | 0.62 | SORD (0.40) | — | |
| SCHEMBL13261284 | 0.62 | HTT (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 2 patents. 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 |
| WO-1999005141-A1 | HISTAMINE H3 RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 1999-02-04 | — | — | WO | disclosed |