⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1960978 | 1.00 | — | — | |
| SCHEMBL502978 | 0.83 | — | — | |
| SCHEMBL1834492 | 0.83 | — | — | |
| SCHEMBL1833398 | 0.83 | — | — | |
| SCHEMBL1960474 | 0.83 | — | — | |
| SCHEMBL1833401 | 0.83 | — | — | |
| SCHEMBL1834050 | 0.72 | — | — | |
| SCHEMBL1836442 | 0.72 | — | — | |
| SCHEMBL1834562 | 0.70 | TAAR1 (0.59) | — | |
| SCHEMBL7946694 | 0.70 | TAAR1 (0.59) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8729113-B2 | 4,5-dihydro-oxazol-2yl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-05-20 | — | — | US | disclosed |
| US-8357712-B2 | — | — | 2013-01-22 | — | — | US | disclosed |
| US-20110144333-A1 | 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES | GALLEY GUIDO | 2011-06-16 | — | — | US | disclosed |