⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8305864 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL8957126 | 0.81 | NPC1 (0.42) | — | |
| SCHEMBL8304861 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL8308653 | 0.78 | RIPK1 (0.34) | — | |
| SCHEMBL8957108 | 0.66 | DPP4 (0.34) | — | |
| SCHEMBL2696901 | 0.65 | ALDH1A1 (0.44) | — | |
| SCHEMBL12057395 | 0.63 | NPC1 (0.37) | — | |
| SCHEMBL9817942 | 0.63 | NPC1 (0.37) | — | |
| SCHEMBL8957258 | 0.63 | DPP4 (0.38) | — | |
| SCHEMBL933947 | 0.62 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0638074-B1 | ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE | BASF AG (DE) | 1999-03-31 | — | — | EP | disclosed |
| EP-0638074-A1 | ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE | BASF Aktiengesellschaft (DE) | 1995-02-15 | — | — | EP | disclosed |
| WO-1993022295-A1 | ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-11 | — | — | WO | disclosed |