⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18948380 | 0.82 | EP300 (0.33) | — | |
| SCHEMBL15703072 | 0.79 | KDM5B (0.37) | — | |
| SCHEMBL17831626 | 0.76 | — | — | |
| SCHEMBL20706164 | 0.76 | — | — | |
| SCHEMBL24454079 | 0.76 | NOS1 (0.33) | — | |
| SCHEMBL21948610 | 0.73 | — | — | |
| SCHEMBL22766370 | 0.73 | ACHE (0.33) | — | |
| SCHEMBL22738674 | 0.73 | KDM5B (0.31) | — | |
| SCHEMBL26089616 | 0.73 | — | — | |
| SCHEMBL10141567 | 0.71 | ACHE (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 5 patents. 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 |
| US-20140038936-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2014-02-06 | — | — | US | disclosed |
| US-8466288-B2 | Isoindolinone inhibitors of phosphatidylinositol 3-kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-18 | — | — | US | disclosed |
| US-20120202784-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-09 | — | — | US | disclosed |
| US-20120040950-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |