⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12695097 | 0.82 | CYP2D6 (0.34) | — | |
| SCHEMBL131689 | 0.82 | — | — | |
| SCHEMBL14486633 | 0.82 | CYP2D6 (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL9287 | 0.79 | — | — | |
| SCHEMBL3917690 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL127797 | 0.77 | — | — | |
| SCHEMBL1064453 | 0.77 | — | — | |
| SCHEMBL18417196 | 0.75 | CYP2D6 (0.31) | — | |
| SCHEMBL60078 | 0.75 | CYP1A2 (0.42) | — | |
| SCHEMBL10447402 | 0.75 | CYP1A2 (0.42) | — |
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-2035372-A1 | MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2009-03-18 | — | — | EP | claimed |
| WO-2008005338-A1 | MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2008-01-10 | — | — | WO | claimed |