⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11279628 | 0.75 | — | — | |
| SCHEMBL1751437 | 0.68 | — | — | |
| SCHEMBL4302555 | 0.67 | — | — | |
| SCHEMBL28993245 | 0.67 | — | — | |
| SCHEMBL15620908 | 0.66 | — | — | |
| SCHEMBL1818112 | 0.64 | — | — | |
| SCHEMBL4310999 | 0.64 | — | — | |
| SCHEMBL17322566 | 0.64 | — | — | |
| SCHEMBL243116 | 0.64 | — | — | |
| SCHEMBL1749147 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4014875-A | REACTING A DIAMIDE OF SULFOACETIC ACID WITH BROMINE IN AN ALKALI METAL HYDROXIDE | THE DOW CHEMICAL COMPANY (US) | 1977-03-29 | — | — | US | claimed |
| WO-2003106435-A1 | FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF | SANKYO COMPANY, LIMITED (JP) | 2003-12-24 | — | — | WO | disclosed |
| US-4014875-A | REACTING A DIAMIDE OF SULFOACETIC ACID WITH BROMINE IN AN ALKALI METAL HYDROXIDE | THE DOW CHEMICAL COMPANY (US) | 1977-03-29 | — | — | US | disclosed |