⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24083396 | 0.82 | — | — | |
| SCHEMBL13595287 | 0.78 | — | — | |
| SCHEMBL831504 | 0.73 | ADH1B (0.32) | — | |
| SCHEMBL30160 | 0.73 | — | — | |
| SCHEMBL27432894 | 0.73 | ADH1B (0.32) | — | |
| Hydrogen Sulfide SCHEMBL16226309 | 0.71 | — | — | |
| Fluoride SCHEMBL9160415 | 0.71 | — | — | |
| Iodide SCHEMBL28709678 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28400231 | 0.71 | — | — | |
| Bromide SCHEMBL30071612 | 0.71 | — | — |
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 |