⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27764190 | 1.00 | — | — | |
| SCHEMBL27764215 | 1.00 | — | — | |
| SCHEMBL12719881 | 0.80 | — | — | |
| SCHEMBL3695582 | 0.76 | — | — | |
| SCHEMBL13865292 | 0.76 | — | — | |
| SCHEMBL28176953 | 0.74 | — | — | |
| SCHEMBL28821530 | 0.69 | — | — | |
| SCHEMBL31029450 | 0.69 | — | — | |
| SCHEMBL2089866 | 0.69 | — | — | |
| SCHEMBL25813854 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101426505-A | Dihydrothienopyrimidine for treating inflammatory disorders | BOEHRINGER INGELHEIM INT (DE) | 2009-05-06 | — | — | CN | disclosed |