⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13930842 | 0.88 | KDM4E (0.35) | — | |
| SCHEMBL13930833 | 0.86 | CCR2 (0.32) | — | |
| SCHEMBL24317161 | 0.86 | CCR2 (0.32) | — | |
| Sulfuric Acid SCHEMBL28199639 | 0.77 | CCR2 (0.33) | — | |
| SCHEMBL23845837 | 0.75 | CCR2 (0.33) | — | |
| SCHEMBL1907491 | 0.74 | PRCP (0.31) | — | |
| SCHEMBL24317268 | 0.73 | — | — | |
| SCHEMBL25978366 | 0.73 | PRCP (0.39) | — | |
| SCHEMBL26653572 | 0.72 | CYP1A2 (0.34) | — | |
| SCHEMBL28199029 | 0.72 | CCR2 (0.31) | — |
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-20130004518-A1 | CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT | Merck, Sharp & Dohme Corp. (US) | 2013-01-03 | — | — | US | disclosed |