⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL163433 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL9425516 | 0.83 | — | — | |
| Nitrous Acid SCHEMBL23748565 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL25401305 | 0.75 | L3MBTL1 (0.38) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL30805625 | 0.74 | CFTR (0.33) | — | |
| Formic Acid SCHEMBL28481689 | 0.73 | — | — | |
| Pyrimidine SCHEMBL28940749 | 0.73 | HSP90AA1 (0.34) | — | |
| Isoxazole SCHEMBL28638568 | 0.70 | PARP1 (0.54) | — | |
| Formic Acid SCHEMBL28517332 | 0.68 | FAAH (0.36) | — | |
| Formamide SCHEMBL450424 | 0.68 | — | — |
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-2245019-A1 | 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009103626-A1 | 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-08-27 | — | — | WO | disclosed |