⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29714011 | 0.86 | CYP1A1 (0.55) | — | |
| SCHEMBL9220181 | 0.86 | CYP1A1 (0.55) | — | |
| SCHEMBL9614842 | 0.85 | — | — | |
| SCHEMBL30952015 | 0.85 | — | — | |
| SCHEMBL128082 | 0.75 | PTPN22 (0.52) | — | |
| SCHEMBL9750309 | 0.75 | PTPN22 (0.47) | — | |
| SCHEMBL6243050 | 0.74 | — | — | |
| SCHEMBL1086963 | 0.73 | PTPN22 (0.54) | — | |
| SCHEMBL130289 | 0.73 | PTPN22 (0.58) | — | |
| SCHEMBL29354413 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0493404-A4 | TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION | — | 1992-08-12 | — | — | EP | disclosed |
| EP-0493404-A1 | TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-07-08 | — | — | EP | disclosed |
| WO-1991003227-A1 | TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-03-21 | — | — | WO | disclosed |