⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15034003 | 0.75 | ALPL (0.37) | — | |
| SCHEMBL11914065 | 0.72 | CPB2 (0.32) | — | |
| SCHEMBL1702282 | 0.69 | CYP2C9 (0.50) | — | |
| SCHEMBL18042101 | 0.68 | MAPK1 (0.41) | — | |
| SCHEMBL26793514 | 0.66 | BRD4 (0.33) | — | |
| SCHEMBL26660693 | 0.64 | BRD4 (0.40) | — | |
| SCHEMBL26660697 | 0.64 | BRD4 (0.40) | — | |
| SCHEMBL26793375 | 0.62 | BRD4 (0.33) | — | |
| SCHEMBL26803154 | 0.62 | BRD4 (0.33) | — | |
| SCHEMBL26793377 | 0.61 | BRD4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9676759-B2 | Isoindolinone inhibitors of phosphatidylinositol 3-kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-06-13 | — | — | US | disclosed |