⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12616935 | 0.72 | — | — | |
| SCHEMBL417778 | 0.60 | — | — | |
| SCHEMBL7009257 | 0.58 | — | — | |
| SCHEMBL18658893 | 0.52 | — | — | |
| SCHEMBL17581119 | 0.51 | — | — | |
| SCHEMBL15484139 | 0.51 | — | — | |
| SCHEMBL3117258 | 0.48 | — | — | |
| SCHEMBL3874742 | 0.46 | MAPT (0.38) | — | |
| SCHEMBL6280462 | 0.46 | — | — | |
| SCHEMBL7561903 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2020231808-A1 | HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF | DECIPHERA PHARMACEUTICALS, LLC (US) | 2020-11-19 | — | — | WO | disclosed |
| EP-0979226-A1 | ISOXAZOLE DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2000-02-16 | — | — | EP | disclosed |
| WO-1998047880-A1 | ISOXAZOLE DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1998-10-29 | — | — | WO | disclosed |