⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7063166 | 0.67 | — | — | |
| SCHEMBL1880009 | 0.61 | — | — | |
| Thiocyanic Acid SCHEMBL435605 | 0.61 | — | — | |
| Thiocyanic Acid SCHEMBL2359454 | 0.61 | CA1 (1.00) | — | |
| SCHEMBL130101 | 0.61 | — | — | |
| Thiocyanic Acid SCHEMBL22439 | 0.61 | — | — | |
| Thiocyanic Acid SCHEMBL8900 | 0.61 | — | — | |
| Thiocyanic Acid SCHEMBL18153982 | 0.61 | CA1 (1.00) | — | |
| SCHEMBL11816212 | 0.61 | — | — | |
| SCHEMBL404959 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1377572-A1 | ISOXAXOLE DERIVATIVES AS INHIBITORS OF SRC AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-01-07 | — | — | EP | disclosed |
| US-20030207873-A1 | Inhibitors of Src and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2003-11-06 | — | — | US | disclosed |
| WO-2002083668-A1 | ISOXAXOLE DERIVATIVES AS INHIBITORS OF SRC AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-10-24 | — | — | WO | disclosed |