⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1551889 | 0.75 | — | — | |
| SCHEMBL16302911 | 0.75 | — | — | |
| SCHEMBL1767192 | 0.75 | — | — | |
| SCHEMBL7873098 | 0.73 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL1128055 | 0.73 | ALDH1A1 (1.00) | — | |
| SCHEMBL2612027 | 0.73 | ALDH1A1 (0.65) | — | |
| Methyl Isobutyl Ketone SCHEMBL15458 | 0.73 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL1580340 | 0.73 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL7134522 | 0.73 | ALDH1A1 (0.82) | — | |
| SCHEMBL21510084 | 0.73 | — | — |
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-20070270521-A1 | Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer | SUMITOMO CHEMICAL COMPANY, LIMITED | 2007-11-22 | — | — | US | disclosed |