⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1750243 | 0.72 | — | — | |
| SCHEMBL87987 | 0.69 | — | — | |
| SCHEMBL177655 | 0.69 | — | — | |
| SCHEMBL21670451 | 0.67 | — | — | |
| SCHEMBL13070225 | 0.67 | — | — | |
| SCHEMBL17888046 | 0.67 | — | — | |
| SCHEMBL11567015 | 0.67 | — | — | |
| SCHEMBL11898161 | 0.67 | — | — | |
| SCHEMBL25122209 | 0.66 | — | — | |
| SCHEMBL11748719 | 0.65 | ADH1B (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140018379-A1 | PYRIMIDINE DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2014-01-16 | — | — | US | disclosed |