⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24069200 | 0.91 | — | — | |
| SCHEMBL24170658 | 0.86 | KEAP1 (0.31) | — | |
| SCHEMBL23555061 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL13461228 | 0.84 | — | — | |
| SCHEMBL4018407 | 0.82 | — | — | |
| SCHEMBL21927031 | 0.82 | — | — | |
| SCHEMBL13096625 | 0.79 | — | — | |
| SCHEMBL5945110 | 0.78 | EPHX1 (0.39) | — | |
| SCHEMBL16389058 | 0.78 | — | — | |
| SCHEMBL20306257 | 0.76 | EPHX1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017128917-A1 | PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES | 北京诺诚健华医药科技有限公司 | 2017-08-03 | — | — | WO | disclosed |