⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3081055 | 0.84 | NR1H2 (0.34) | — | |
| SCHEMBL586904 | 0.83 | — | — | |
| SCHEMBL580970 | 0.81 | LMNA (0.36) | — | |
| SCHEMBL580875 | 0.72 | NR1H2 (0.35) | — | |
| SCHEMBL587242 | 0.70 | GAA (0.34) | — | |
| SCHEMBL581911 | 0.70 | LMNA (0.38) | — | |
| SCHEMBL581355 | 0.68 | FKBP1A (0.32) | — | |
| SCHEMBL3069770 | 0.68 | GAA (0.34) | — | |
| SCHEMBL587241 | 0.68 | GAA (0.34) | — | |
| SCHEMBL581442 | 0.68 | GAA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |