⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5046449 | 1.00 | — | — | |
| SCHEMBL1313423 | 0.83 | — | — | |
| SCHEMBL19688576 | 0.81 | SPHK1 (0.58) | — | |
| SCHEMBL11038534 | 0.79 | SPHK1 (0.61) | — | |
| SCHEMBL10399681 | 0.79 | SPHK1 (0.61) | — | |
| SCHEMBL19847102 | 0.79 | SPHK1 (0.61) | — | |
| SCHEMBL1313528 | 0.79 | SPHK1 (0.61) | — | |
| SCHEMBL7155450 | 0.79 | SPHK1 (0.61) | — | |
| SCHEMBL16204394 | 0.78 | METAP1 (0.46) | — | |
| SCHEMBL12321642 | 0.78 | METAP1 (0.46) | — |
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-7538132-B2 | Isoxazolo derivatives | HOFFMAN-LA ROCHE INC. (US) | 2009-05-26 | — | — | US | disclosed |
| EP-1931661-B1 | ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS | HOFFMANN LA ROCHE (CH) | 2008-11-19 | — | — | EP | disclosed |
| US-20070066668-A1 | Isoxazolo derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-22 | — | — | US | disclosed |