⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10918021 | 0.79 | — | — | |
| SCHEMBL50335 | 0.77 | MLYCD (0.47) | — | |
| SCHEMBL12073330 | 0.76 | — | — | |
| SCHEMBL6273224 | 0.76 | — | — | |
| SCHEMBL18738 | 0.76 | — | — | |
| SCHEMBL1835807 | 0.74 | ZDHHC20 (0.37) | — | |
| SCHEMBL18381057 | 0.74 | DPP4 (0.51) | — | |
| Iodide SCHEMBL15299863 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28075387 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL668539 | 0.73 | — | — |
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-2997026-B1 | SUBSTITUTED ISOXAZOLE DERIVATIVES | BASF SE (DE) | 2017-03-15 | — | — | EP | disclosed |
| WO-2014184236-A1 | SUBSTITUTED ISOXAZOLE DERIVATIVES | BASF SE (DE) | 2014-11-20 | — | — | WO | disclosed |