⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL587322 | 0.81 | DPP4 (0.31) | — | |
| SCHEMBL1785216 | 0.75 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL3623106 | 0.72 | — | — | |
| SCHEMBL1830719 | 0.72 | CHRM5 (0.30) | — | |
| SCHEMBL2295825 | 0.72 | CHRM5 (0.30) | — | |
| SCHEMBL17824032 | 0.71 | — | — | |
| SCHEMBL22694566 | 0.69 | CNR2 (0.36) | — | |
| SCHEMBL4479796 | 0.68 | — | — | |
| SCHEMBL28510593 | 0.67 | GNAI3 (0.32) | — | |
| SCHEMBL1989931 | 0.66 | MAPK1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8415378-B2 | Isoxazol-3(2H)-one analogs as therapeutic agents | ASTRAZENECA AB (SE) | 2013-04-09 | — | — | US | disclosed |
| EP-2417131-A1 | ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS | AstraZeneca AB (SE) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010117323-A1 | METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE | ASTRAZENECA AB (SE) | 2010-10-14 | — | — | WO | disclosed |
| US-20100261755-A1 | ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS | ASTRAZENECA AB (SE) | 2010-10-14 | — | — | US | disclosed |