⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9096089 | 1.00 | — | — | |
| SCHEMBL10424509 | 0.87 | — | — | |
| SCHEMBL6575476 | 0.87 | — | — | |
| SCHEMBL7632811 | 0.87 | — | — | |
| SCHEMBL890968 | 0.87 | — | — | |
| SCHEMBL29352138 | 0.82 | — | — | |
| SCHEMBL30222097 | 0.82 | — | — | |
| SCHEMBL29353921 | 0.82 | — | — | |
| SCHEMBL29471324 | 0.82 | — | — | |
| SCHEMBL30625940 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114345330-A | Improved preparation method of dehydrogenation catalyst containing platinum, tin and aluminum | 江苏金桐表面活性剂有限公司 | 2022-04-15 | — | — | CN | disclosed |