⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19018166 | 0.67 | — | — | |
| SCHEMBL12879729 | 0.62 | — | — | |
| SCHEMBL15835938 | 0.62 | — | — | |
| SCHEMBL20257773 | 0.62 | — | — | |
| SCHEMBL23385250 | 0.60 | — | — | |
| SCHEMBL15088387 | 0.60 | — | — | |
| SCHEMBL12879727 | 0.60 | — | — | |
| SCHEMBL12987000 | 0.60 | — | — | |
| SCHEMBL1848524 | 0.58 | — | — | |
| SCHEMBL3893574 | 0.58 | — | — |
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-3110816-B1 | N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS | CANCER RESEARCH TECH LTD (GB) | 2019-06-19 | — | — | EP | disclosed |