⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5598913 | 0.80 | — | — | |
| SCHEMBL16722287 | 0.79 | — | — | |
| SCHEMBL7088547 | 0.73 | — | — | |
| SCHEMBL13929140 | 0.71 | EPHX1 (0.32) | — | |
| SCHEMBL91221 | 0.68 | — | — | |
| SCHEMBL19839414 | 0.67 | CA1 (0.30) | — | |
| SCHEMBL5565060 | 0.65 | — | — | |
| SCHEMBL13929118 | 0.65 | — | — | |
| SCHEMBL8381883 | 0.65 | — | — | |
| SCHEMBL11495334 | 0.65 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083599-B1 | PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK | HOFFMANN LA ROCHE (CH) | 2020-07-01 | — | — | EP | disclosed |
| EP-3083599-B1 | PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK | HOFFMANN LA ROCHE (CH) | 2020-07-01 | — | — | EP | disclosed |
| EP-3083599-A1 | PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK | F. Hoffmann-La Roche AG (CH) | 2016-10-26 | — | — | EP | disclosed |
| US-9365583-B2 | Substituted pyrazoles and uses thereof | GENENTECH, INC. (US) | 2016-06-14 | — | — | US | disclosed |
| US-9365583-B2 | Substituted pyrazoles and uses thereof | GENENTECH, INC. (US) | 2016-06-14 | — | — | US | disclosed |
| US-9365583-B2 | Substituted pyrazoles and uses thereof | GENENTECH, INC. (US) | 2016-06-14 | — | — | US | disclosed |
| WO-2015091889-A1 | PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK | F. HOFFMANN-LA ROCHE AG (CH) | 2015-06-25 | — | — | WO | disclosed |
| WO-2015091889-A1 | PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK | F. HOFFMANN-LA ROCHE AG (CH) | 2015-06-25 | — | — | WO | disclosed |
| US-20150175619-A1 | SUBSTITUTED PYRAZOLES AND USES THEREOF | GENENTECH, INC. (US) | 2015-06-25 | — | — | US | disclosed |
| US-20150175619-A1 | SUBSTITUTED PYRAZOLES AND USES THEREOF | GENENTECH, INC. (US) | 2015-06-25 | — | — | US | disclosed |