⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25927125 | 1.00 | — | — | |
| SCHEMBL25927135 | 1.00 | — | — | |
| SCHEMBL25927150 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL553117 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL25927155 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL14664104 | 0.72 | — | — | |
| SCHEMBL19034997 | 0.70 | TP53 (0.30) | — | |
| SCHEMBL7790012 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL2171251 | 0.69 | — | — | |
| SCHEMBL5493507 | 0.69 | L3MBTL1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140221334-A1 | KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-07 | — | — | US | disclosed |
| US-8741931-B2 | Kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2014-06-03 | — | — | US | disclosed |
| US-20120214799-A1 | KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-23 | — | — | US | disclosed |
| US-8188071-B2 | Amino substituted pyridines as potent kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-29 | — | — | US | disclosed |
| US-20110077237-A1 | KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-31 | — | — | US | disclosed |
| US-20090124602-A1 | KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-05-14 | — | — | US | disclosed |