⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16070527 | 0.77 | ADORA1 (0.47) | — | |
| SCHEMBL11018441 | 0.67 | — | — | |
| SCHEMBL13984967 | 0.67 | — | — | |
| SCHEMBL172129 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL172127 | 0.65 | ALDH1A1 (0.58) | — | |
| SCHEMBL11990814 | 0.65 | GAA (0.59) | — | |
| SCHEMBL13041698 | 0.65 | ADORA3 (0.43) | — | |
| SCHEMBL5935763 | 0.64 | — | — | |
| SCHEMBL18037706 | 0.64 | — | — | |
| SCHEMBL8404456 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2333018-B1 | Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye | L'ORÉAL (FR) | 2017-11-22 | — | — | EP | disclosed |
| WO-2004064842-A1 | AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-08-05 | — | — | WO | disclosed |
| WO-2004014384-A2 | CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |
| WO-2004014892-A1 | MONOCYCLIC DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |