⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL18694993 | 0.97 | — | — | |
| SCHEMBL325311 | 0.97 | — | — | |
| SCHEMBL29046886 | 0.94 | — | — | |
| SCHEMBL6547582 | 0.94 | LMNA (0.44) | — | |
| SCHEMBL1506675 | 0.94 | LMNA (0.44) | — | |
| Hydrochloric Acid SCHEMBL11596030 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL2518731 | 0.94 | LMNA (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL3713940 | 0.94 | LMNA (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL217276 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL2523445 | 0.94 | LMNA (0.44) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140350051-A1 | Dual Modulators Of 5HT2A and D3 Receptors | HOFFMAN-LA ROCHE INC. | 2014-11-27 | — | — | US | disclosed |
| US-8829029-B2 | Dual modulators of 5HT2A and D3 receptors | HOFFMANN-LA ROCHE INC. (US) | 2014-09-09 | — | — | US | disclosed |
| EP-2183245-B1 | DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS | HOFFMANN LA ROCHE (CH) | 2014-07-09 | — | — | EP | disclosed |
| US-20130165432-A1 | Dual Modulators of 5HT2A and D3 Receptors | HOFFMANN-LA ROCHE INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-20120040972-A1 | DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS | GOBBI LUCA (CH) | 2012-02-16 | — | — | US | disclosed |
| EP-2183245-A2 | DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS | F. Hoffmann-Roche AG (CH) | 2010-05-12 | — | — | EP | disclosed |
| US-20090029977-A1 | DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-29 | — | — | US | disclosed |
| WO-2009013212-A2 | DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-29 | — | — | WO | disclosed |
| CN-1036520-C | 1,4-diazepine derivative and its pharmaceutical use | EISAI CO LTD (JP) | 1997-11-26 | — | — | CN | disclosed |
| CN-1121076-A | 1,4-diazepine derivative and its pharmaceutical use | EISAI CO LTD (JP) | 1996-04-24 | — | — | CN | disclosed |