⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL123677 | 0.71 | — | — | |
| Methylene Chloride SCHEMBL28158615 | 0.68 | — | — | |
| SCHEMBL27580721 | 0.67 | — | — | |
| SCHEMBL1548059 | 0.67 | — | — | |
| SCHEMBL9803138 | 0.67 | — | — | |
| SCHEMBL2466173 | 0.67 | — | — | |
| SCHEMBL10985500 | 0.67 | — | — | |
| Hypochlorous Acid SCHEMBL27975203 | 0.67 | — | — | |
| Hypochlorous Acid SCHEMBL5667531 | 0.67 | — | — | |
| Chloroacetic Acid SCHEMBL1330649 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1553074-B1 | FUSED BENZENE DERIVATIVE AND USE | TAKEDA PHARMACEUTICAL (JP) | 2014-06-18 | — | — | EP | disclosed |
| US-7649001-B2 | Fused benzene derivative and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-19 | — | — | US | disclosed |
| US-20090042857-A1 | Novel Pharmaceutical | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-02-12 | — | — | US | disclosed |
| EP-1987827-A1 | NOVEL PHARMACEUTICAL | Takeda Pharmaceutical Company Limited (JP) | 2008-11-05 | — | — | EP | disclosed |
| US-20060106067-A1 | Fused benzene derivative and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-05-18 | — | — | US | disclosed |
| EP-1553074-A1 | FUSED BENZENE DERIVATIVE AND USE | Takeda Pharmaceutical Company Limited (JP) | 2005-07-13 | — | — | EP | disclosed |