⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1238312 | 0.80 | CYP2A6 (0.31) | — | |
| SCHEMBL10916796 | 0.69 | PPARA (0.33) | — | |
| SCHEMBL10914558 | 0.68 | — | — | |
| SCHEMBL8096908 | 0.67 | MAPT (0.43) | — | |
| SCHEMBL3953551 | 0.64 | HPGDS (0.38) | — | |
| SCHEMBL1348552 | 0.63 | KDM4E (0.50) | — | |
| SCHEMBL2935611 | 0.61 | PDPK1 (0.42) | — | |
| SCHEMBL3612034 | 0.61 | ALDH1A1 (0.46) | — | |
| SCHEMBL18050291 | 0.61 | DYRK1A (0.33) | — | |
| SCHEMBL608868 | 0.61 | EGFR (0.30) | — |
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-6509333-B2 | Lactams substituted by cyclic succinates as inhibitors of Aβ protein production | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-21 | — | — | US | claimed |