⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2132134 | 1.00 | — | — | |
| SCHEMBL18655709 | 0.83 | — | — | |
| SCHEMBL7618854 | 0.83 | — | — | |
| SCHEMBL7474650 | 0.83 | — | — | |
| SCHEMBL7006466 | 0.79 | — | — | |
| SCHEMBL10783575 | 0.79 | — | — | |
| SCHEMBL14345886 | 0.79 | — | — | |
| SCHEMBL11653074 | 0.77 | ADORA2A (0.41) | — | |
| SCHEMBL7009020 | 0.77 | ADORA2A (0.45) | — | |
| SCHEMBL5555667 | 0.77 | ADORA2A (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2445916-A1 | ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS | Merck Patent GmbH (DE) | 2012-05-02 | — | — | EP | disclosed |
| US-20120101095-A1 | ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-04-26 | — | — | US | disclosed |
| WO-2010149257-A1 | ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS | MERCK PATENT GMBH (DE) | 2010-12-29 | — | — | WO | disclosed |
| CN-1290247-A | Process and intermediates for the preparation of antifolates | LILLY CO ELI (US) | 2001-04-04 | — | — | CN | disclosed |