⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL711712 | 0.61 | — | — | |
| SCHEMBL22534285 | 0.58 | — | — | |
| SCHEMBL711711 | 0.58 | — | — | |
| SCHEMBL16534475 | 0.56 | — | — | |
| SCHEMBL876230 | 0.56 | — | — | |
| SCHEMBL30776105 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL4754646 | 0.55 | — | — | |
| SCHEMBL3553893 | 0.50 | — | — | |
| SCHEMBL7366717 | 0.46 | — | — | |
| SCHEMBL1465460 | 0.46 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090062258-A1 | FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-03-05 | — | — | US | disclosed |
| EP-1847541-A1 | FUSED PYRIMIDINE DERIVATIVE AND USES THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-10-24 | — | — | EP | disclosed |
| EP-1259499-A1 | THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001060808-A1 | THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-08-23 | — | — | WO | disclosed |