⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL999913 | 0.90 | — | — | |
| SCHEMBL999912 | 0.90 | — | — | |
| SCHEMBL27583115 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL27760428 | 0.87 | — | — | |
| SCHEMBL28162925 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL10609152 | 0.79 | ALDH1A1 (0.36) | — | |
| Pyrrole SCHEMBL27975210 | 0.79 | — | — | |
| Pyrrole SCHEMBL27742686 | 0.77 | — | — | |
| SCHEMBL147004 | 0.76 | — | — | |
| SCHEMBL147005 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2852596-A1 | THIENOPYRIMIDINES | Bayer Pharma Aktiengesellschaft (DE) | 2015-04-01 | — | — | EP | disclosed |
| WO-2013174744-A1 | THIENOPYRIMIDINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2013-11-28 | — | — | WO | disclosed |