⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL871747 | 0.76 | — | — | |
| SCHEMBL871528 | 0.76 | — | — | |
| SCHEMBL871309 | 0.71 | — | — | |
| SCHEMBL2879713 | 0.71 | — | — | |
| SCHEMBL18302586 | 0.69 | — | — | |
| SCHEMBL871146 | 0.65 | PRKCA (0.30) | — | |
| SCHEMBL1743095 | 0.62 | — | — | |
| SCHEMBL872168 | 0.62 | — | — | |
| SCHEMBL1744922 | 0.62 | — | — | |
| SCHEMBL10270032 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1926729-A1 | BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS | ABBOTT LABORATORIES (US) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007038074-A1 | BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS | ABBOTT LABORATORIES (US) | 2007-04-05 | — | — | WO | disclosed |