⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL60150 | 0.74 | — | — | |
| SCHEMBL1784211 | 0.71 | — | — | |
| SCHEMBL8069903 | 0.71 | — | — | |
| SCHEMBL7750421 | 0.71 | — | — | |
| SCHEMBL1276866 | 0.71 | — | — | |
| SCHEMBL1784210 | 0.71 | — | — | |
| SCHEMBL4668686 | 0.69 | — | — | |
| SCHEMBL19087226 | 0.69 | — | — | |
| SCHEMBL18388392 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL12060167 | 0.69 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002080920-A1 | ARYLACETAMIDO-KETOBENZOXAZOLE AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-10-17 | — | — | WO | disclosed |
| WO-2002067866-A2 | PIPERAZINE DERIVATIVES AS METALLOPROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-09-06 | — | — | WO | disclosed |