⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2743326 | 0.70 | FUCA1 (0.41) | — | |
| SCHEMBL811885 | 0.69 | — | — | |
| SCHEMBL717906 | 0.68 | — | — | |
| SCHEMBL20267816 | 0.68 | — | — | |
| SCHEMBL3397853 | 0.68 | — | — | |
| SCHEMBL717907 | 0.68 | — | — | |
| SCHEMBL3601803 | 0.67 | — | — | |
| SCHEMBL18257899 | 0.64 | — | — | |
| SCHEMBL811045 | 0.62 | — | — | |
| SCHEMBL31335355 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2032585-B1 | SUBSTITUTED PTERIDINES AS THERAPEUTIC AGENTS | BOEHRINGER INGELHEIM INT (DE) | 2014-07-23 | — | — | EP | disclosed |