⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6257885 | 0.71 | HSD17B10 (0.33) | — | |
| SCHEMBL12599917 | 0.67 | HSP90AA1 (0.32) | — | |
| SCHEMBL12599915 | 0.66 | SDHB (0.34) | — | |
| SCHEMBL17919065 | 0.55 | — | — | |
| SCHEMBL24228124 | 0.54 | KDM5B (0.32) | — | |
| SCHEMBL12649521 | 0.54 | DYRK1A (0.39) | — | |
| SCHEMBL27988452 | 0.54 | F10 (0.40) | — | |
| SCHEMBL25787775 | 0.54 | CYP1A2 (0.30) | — | |
| SCHEMBL30977443 | 0.54 | CFTR (0.36) | — | |
| SCHEMBL15244134 | 0.53 | ERN1 (0.33) | — |
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-2009131975-A1 | PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2009-10-29 | — | — | WO | disclosed |