⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19588445 | 0.88 | — | — | |
| SCHEMBL15882578 | 0.85 | DGAT1 (0.32) | — | |
| SCHEMBL18050822 | 0.84 | — | — | |
| SCHEMBL18403274 | 0.75 | PDE4B (0.40) | — | |
| SCHEMBL722670 | 0.73 | DGAT1 (0.33) | — | |
| SCHEMBL23257662 | 0.71 | — | — | |
| SCHEMBL21912465 | 0.71 | DGAT1 (0.31) | — | |
| SCHEMBL3516319 | 0.70 | HSD17B10 (0.40) | — | |
| SCHEMBL20007592 | 0.68 | EGLN1 (0.38) | — | |
| SCHEMBL15699637 | 0.68 | CALCRL (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10028942-B2 | 3-substituted pyrazoles and uses thereof | GENENTECH, INC. (US) | 2018-07-24 | — | — | US | disclosed |
| US-20170087137-A1 | 3-SUBSTITUTED PYRAZOLES AND USES THEREOF | GENENTECH, INC. (US) | 2017-03-30 | — | — | US | disclosed |
| US-9550777-B2 | 3-substituted pyrazoles and use as DLK inhibitors | GENENTECH, INC. (US) | 2017-01-24 | — | — | US | disclosed |