⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL724987 | 0.79 | — | — | |
| SCHEMBL27804866 | 0.71 | ALOX5 (0.36) | — | |
| SCHEMBL27804863 | 0.68 | — | — | |
| SCHEMBL1785739 | 0.65 | — | — | |
| SCHEMBL4195151 | 0.64 | — | — | |
| SCHEMBL27348005 | 0.63 | MAPT (0.34) | — | |
| SCHEMBL9012991 | 0.63 | — | — | |
| SCHEMBL27840565 | 0.63 | — | — | |
| SCHEMBL14639670 | 0.63 | — | — | |
| SCHEMBL10928369 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101998946-B | Method for producing of 2-alkyl-2-cycloalken-1-one | KAO CORP | 2013-09-04 | — | — | CN | disclosed |
| CN-101998946-A | Method for producing of 2-alkyl-2-cycloalken-1-one | KAO CORP | 2011-03-30 | — | — | CN | disclosed |