⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1760178 | 1.00 | — | — | |
| SCHEMBL1760277 | 0.90 | TAAR1 (0.56) | — | |
| SCHEMBL1760278 | 0.90 | TAAR1 (0.56) | — | |
| SCHEMBL1759934 | 0.89 | GAA (0.54) | — | |
| SCHEMBL1759935 | 0.89 | GAA (0.54) | — | |
| SCHEMBL1759976 | 0.87 | — | — | |
| SCHEMBL502865 | 0.87 | — | — | |
| SCHEMBL502866 | 0.87 | — | — | |
| SCHEMBL1759971 | 0.87 | — | — | |
| SCHEMBL1759779 | 0.86 | SMN1; SMN2 (0.54) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499121-B1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. | HOFFMANN LA ROCHE (CH) | 2015-10-07 | — | — | EP | claimed |
| US-8354441-B2 | Oxazoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-01-15 | — | — | US | claimed |
| US-20110112080-A1 | OXAZOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-12 | — | — | US | claimed |
| US-20190201410-A1 | TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT | PURDUE PHARMA L.P. (US) | 2019-07-04 | — | — | US | disclosed |
| EP-3463359-A1 | TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT | Purdue Pharma LP (US) | 2019-04-10 | — | — | EP | disclosed |
| WO-2017210616-A1 | TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT | PURDUE PHARMA L.P. (US) | 2017-12-07 | — | — | WO | disclosed |
| EP-2499121-B1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. | HOFFMANN LA ROCHE (CH) | 2015-10-07 | — | — | EP | disclosed |
| US-8354441-B2 | Oxazoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-01-15 | — | — | US | disclosed |
| EP-2499121-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. | F. Hoffmann-La Roche AG (CH) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011057973-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011057973-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-19 | — | — | WO | disclosed |
| US-20110112080-A1 | OXAZOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-12 | — | — | US | disclosed |