⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3798339 | 0.85 | PDE4A (0.32) | — | |
| SCHEMBL13160143 | 0.80 | GRIN2D (0.34) | — | |
| SCHEMBL3799530 | 0.76 | BRD4 (0.39) | — | |
| SCHEMBL3794387 | 0.71 | MAPT (0.37) | — | |
| SCHEMBL17968324 | 0.67 | MAPK10 (0.37) | — | |
| SCHEMBL9951542 | 0.67 | GRIN2D (0.46) | — | |
| SCHEMBL2491037 | 0.66 | — | — | |
| SCHEMBL13890392 | 0.65 | AMY1A (0.39) | — | |
| SCHEMBL9497249 | 0.65 | PDE10A (0.32) | — | |
| SCHEMBL9509223 | 0.65 | ACHE (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010117425-A1 | CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE | BIOGEN IDEC MA INC. (US) | 2010-10-14 | — | — | WO | disclosed |