⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13283579 | 0.83 | CYP19A1 (0.36) | — | |
| SCHEMBL14214803 | 0.80 | — | — | |
| SCHEMBL16053494 | 0.78 | — | — | |
| SCHEMBL27702323 | 0.76 | — | — | |
| SCHEMBL1906440 | 0.75 | — | — | |
| SCHEMBL10510353 | 0.74 | — | — | |
| SCHEMBL1101978 | 0.74 | — | — | |
| SCHEMBL24862793 | 0.74 | CYP19A1 (0.36) | — | |
| SCHEMBL18545214 | 0.74 | CYP19A1 (0.35) | — | |
| SCHEMBL11148821 | 0.72 | CYP19A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7569570-B2 | Thienopyrimidines, process for preparing the same and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-04 | — | — | US | disclosed |
| US-7569570-B2 | Thienopyrimidines, process for preparing the same and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-04 | — | — | US | disclosed |
| US-7569570-B2 | Thienopyrimidines, process for preparing the same and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-04 | — | — | US | disclosed |
| US-20050222174-A1 | Thienopyrimidines, process for preparing the same and use thereof | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2005-10-06 | — | — | US | disclosed |
| EP-1479684-A1 | THIENOPYRIMIDINES, PROCESS FOR PREPARING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2004-11-24 | — | — | EP | disclosed |