⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50976 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL826704 | 0.76 | GABRA1 (0.35) | — | |
| SCHEMBL23467455 | 0.70 | MAPT (0.34) | — | |
| SCHEMBL18610685 | 0.70 | — | — | |
| SCHEMBL21241061 | 0.67 | CYP1A2 (0.34) | — | |
| SCHEMBL13360497 | 0.67 | — | — | |
| SCHEMBL21720685 | 0.65 | KDM4E (0.31) | — | |
| SCHEMBL21720725 | 0.65 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL21720680 | 0.65 | KDM4E (0.31) | — | |
| SCHEMBL18881102 | 0.65 | — | — |
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-8288400-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | disclosed |
| US-8017619-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-13 | — | — | US | disclosed |
| US-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-04 | — | — | US | disclosed |
| US-7700609-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-20 | — | — | US | disclosed |