⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2598353 | 0.74 | L3MBTL1 (0.31) | — | |
| SCHEMBL2596820 | 0.74 | L3MBTL1 (0.30) | — | |
| SCHEMBL8122607 | 0.67 | L3MBTL1 (0.33) | — | |
| SCHEMBL8122602 | 0.65 | KDM4C (0.38) | — | |
| SCHEMBL2598405 | 0.64 | — | — | |
| SCHEMBL10433895 | 0.62 | KMT2A (0.32) | — | |
| SCHEMBL10433892 | 0.62 | KMT2A (0.32) | — | |
| SCHEMBL10433791 | 0.62 | KMT2A (0.32) | — | |
| SCHEMBL11872719 | 0.61 | — | — | |
| SCHEMBL15465385 | 0.61 | MAPK1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011146287-A1 | PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-24 | — | — | WO | disclosed |