⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6280669 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL6590842 | 0.83 | MAPT (0.30) | — | |
| SCHEMBL6283851 | 0.81 | ADORA3 (0.31) | — | |
| SCHEMBL6587324 | 0.73 | MEN1 (0.30) | — | |
| SCHEMBL6592617 | 0.72 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL6589559 | 0.70 | GLP1R (0.31) | — | |
| SCHEMBL6288800 | 0.68 | — | — | |
| SCHEMBL6590416 | 0.68 | MAPT (0.38) | — | |
| SCHEMBL6285034 | 0.68 | GRIN1 (0.31) | — | |
| SCHEMBL5429260 | 0.68 | PTGS2 (0.32) | — |
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-6888003-B2 | Method for producing 7-(pyrazole-3-yl) benzoxazoles | BASF AKTIENGESELLSCHAFT (DE) | 2005-05-03 | — | — | US | disclosed |
| EP-1272486-B1 | METHOD FOR PRODUCING 7-(PYRAZOLE-3-YL) BENZOXAZOLES | BASF AG (DE) | 2004-08-11 | — | — | EP | disclosed |
| US-20030050477-A1 | Method for producing 7-(pyrazole-3-yl) benzoxazoles | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-13 | — | — | US | disclosed |