⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23766640 | 0.84 | ADH1B (0.52) | — | |
| SCHEMBL123088 | 0.77 | — | — | |
| SCHEMBL3859640 | 0.77 | — | — | |
| SCHEMBL8341899 | 0.75 | CA1 (0.45) | — | |
| SCHEMBL5878376 | 0.75 | — | — | |
| SCHEMBL1002824 | 0.75 | — | — | |
| SCHEMBL5878451 | 0.75 | ADH1B (0.44) | — | |
| SCHEMBL3670984 | 0.73 | — | — | |
| SCHEMBL1767328 | 0.73 | — | — | |
| SCHEMBL5878360 | 0.71 | KDM4E (0.61) | — |
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-2009038412-A2 | BETA-SECRETASE INHIBITING COMPOUNDS | LG LIFE SCIENCES, LTD. (KR) | 2009-03-26 | — | — | WO | disclosed |