⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15116312 | 0.80 | — | — | |
| SCHEMBL2199674 | 0.78 | MAPT (0.55) | — | |
| SCHEMBL4299916 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL148213 | 0.74 | — | — | |
| SCHEMBL18645091 | 0.74 | — | — | |
| SCHEMBL15360188 | 0.74 | — | — | |
| SCHEMBL11498362 | 0.74 | — | — | |
| SCHEMBL148214 | 0.74 | — | — | |
| SCHEMBL1680450 | 0.73 | — | — | |
| SCHEMBL28668055 | 0.72 | — | — |
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-7696365-B2 | Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-04-13 | — | — | US | claimed |