⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL338455 | 0.75 | — | — | |
| SCHEMBL4583821 | 0.75 | — | — | |
| 5-Bromouracil SCHEMBL30790330 | 0.75 | — | — | |
| 5-Bromouracil SCHEMBL8740942 | 0.75 | — | — | |
| SCHEMBL2201862 | 0.75 | — | — | |
| SCHEMBL31180013 | 0.75 | — | — | |
| SCHEMBL4736009 | 0.75 | — | — | |
| SCHEMBL31356514 | 0.73 | — | — | |
| SCHEMBL669333 | 0.73 | — | — | |
| SCHEMBL1853388 | 0.71 | — | — |
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-6962919-B2 | Nitrogen-containing heterocyclic compounds, their production and use | TAKEDA PHARMACEUTICAL CO., LTD. (JP) | 2005-11-08 | — | — | US | disclosed |
| EP-1042325-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA PHARMACEUTICAL (JP) | 2005-09-21 | — | — | EP | disclosed |
| US-20020103210-A1 | Nitrogen-containing heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. | 2002-08-01 | — | — | US | disclosed |
| US-6194419-B1 | THERAPY FOR SEXUAL DISORDERS; A 5-OXOIMIDAZOLO(1,2-A)PYRIMIDINE-6-CARBOXYLIC ESTER | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-02-27 | — | — | US | disclosed |
| EP-1042325-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033831-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-08 | — | — | WO | disclosed |