⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37535 | 0.78 | — | — | |
| SCHEMBL401250 | 0.75 | TAS2R38 (0.47) | — | |
| SCHEMBL2231400 | 0.75 | — | — | |
| Selenium SCHEMBL80974 | 0.75 | TAS2R38 (0.47) | — | |
| Water SCHEMBL9747676 | 0.75 | — | — | |
| SCHEMBL23045116 | 0.75 | — | — | |
| SCHEMBL434255 | 0.75 | TAS2R38 (0.47) | — | |
| Water SCHEMBL16026410 | 0.75 | — | — | |
| SCHEMBL21753612 | 0.75 | — | — | |
| SCHEMBL15328334 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0828718-A1 | HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996038418-A1 | HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-12-05 | — | — | WO | disclosed |