⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17623349 | 0.76 | — | — | |
| SCHEMBL12809684 | 0.76 | — | — | |
| SCHEMBL20754433 | 0.72 | — | — | |
| SCHEMBL13452121 | 0.71 | — | — | |
| SCHEMBL8338798 | 0.71 | — | — | |
| SCHEMBL15836180 | 0.65 | — | — | |
| SCHEMBL8077995 | 0.65 | — | — | |
| SCHEMBL8273362 | 0.61 | — | — | |
| SCHEMBL16602886 | 0.59 | — | — | |
| SCHEMBL18673183 | 0.59 | — | — |
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-3019480-B1 | 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER | AGIOS PHARMACEUTICALS INC (US) | 2020-05-06 | — | — | EP | disclosed |