⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1833401 | 1.00 | — | — | |
| SCHEMBL1834492 | 1.00 | — | — | |
| SCHEMBL502978 | 1.00 | — | — | |
| SCHEMBL1960474 | 1.00 | — | — | |
| SCHEMBL1833237 | 0.86 | TAAR1 (0.51) | — | |
| SCHEMBL1960979 | 0.83 | — | — | |
| SCHEMBL1960978 | 0.83 | — | — | |
| SCHEMBL1961655 | 0.82 | — | — | |
| SCHEMBL1832264 | 0.82 | — | — | |
| SCHEMBL1832266 | 0.82 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2600853-A1 | COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-12 | — | — | EP | claimed |
| WO-2012016879-A1 | COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-09 | — | — | WO | claimed |
| EP-2321287-A1 | 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | claimed |
| WO-2010010014-A1 | 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | claimed |
| 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-2600853-A1 | COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012016879-A1 | COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-09 | — | — | WO | disclosed |
| WO-2010010014-A1 | 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | disclosed |