⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23069189 | 0.83 | — | — | |
| SCHEMBL7113508 | 0.82 | — | — | |
| SCHEMBL3435460 | 0.78 | — | — | |
| SCHEMBL20239755 | 0.78 | MCHR1 (0.40) | — | |
| SCHEMBL12633778 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL4272939 | 0.77 | CYP2C9 (0.42) | — | |
| SCHEMBL1344981 | 0.75 | NR5A1 (0.40) | — | |
| SCHEMBL21452755 | 0.75 | — | — | |
| SCHEMBL22943095 | 0.74 | — | — | |
| SCHEMBL21452660 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2265610-A1 | PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS | Array Biopharma, Inc. (US) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009111279-A1 | PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2009-09-11 | — | — | WO | disclosed |