⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5529035 | 0.76 | — | — | |
| SCHEMBL5523839 | 0.62 | — | — | |
| SCHEMBL75780 | 0.62 | — | — | |
| SCHEMBL21318378 | 0.59 | TRPA1 (0.31) | — | |
| SCHEMBL6155285 | 0.59 | — | — | |
| Water SCHEMBL11130078 | 0.59 | — | — | |
| SCHEMBL5519553 | 0.59 | — | — | |
| SCHEMBL9191112 | 0.59 | — | — | |
| SCHEMBL9190741 | 0.59 | — | — | |
| SCHEMBL690234 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8063085-B2 | Substituted hydantoins | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| EP-2234982-A1 | SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-10-06 | — | — | EP | disclosed |
| US-20090170920-A1 | SUBSTITUTED HYDANTOINS | CHEN SHAOQING | 2009-07-02 | — | — | US | disclosed |
| WO-2009080523-A1 | SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | disclosed |