⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29219441 | 0.82 | KDM4E (0.44) | — | |
| SCHEMBL19619590 | 0.72 | — | — | |
| SCHEMBL14222482 | 0.72 | — | — | |
| SCHEMBL14222413 | 0.72 | — | — | |
| SCHEMBL31707024 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL34473623 | 0.70 | KDM4E (0.35) | — | |
| SCHEMBL14804604 | 0.69 | KDM4E (0.39) | — | |
| SCHEMBL18792646 | 0.69 | — | — | |
| SCHEMBL28611312 | 0.69 | — | — | |
| SCHEMBL4870700 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1799653-B1 | Condensed thienopyrimidine derivatives for the treatment of cancer | BAYER IP GMBH (DE) | 2013-03-20 | — | — | EP | disclosed |
| US-8207172-B2 | Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-06-26 | — | — | US | disclosed |
| US-20110172224-A1 | NOVEL HETEROCYCLES | BAYER PHARMACEUTICALS CORPORATION (US) | 2011-07-14 | — | — | US | disclosed |
| EP-1799653-A2 | NOVEL HETEROCYCLES | Bayer Pharmaceuticals Corporation (US) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006023843-A2 | NOVEL HETEROCYCLES | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-03-02 | — | — | WO | disclosed |