⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873741 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28614501 | 0.93 | — | — | |
| SCHEMBL9741536 | 0.93 | — | — | |
| SCHEMBL6013871 | 0.73 | — | — | |
| SCHEMBL562701 | 0.72 | KDM1A (0.63) | — | |
| SCHEMBL562702 | 0.72 | KDM1A (0.63) | — | |
| Diethylamine SCHEMBL27776705 | 0.72 | — | — | |
| SCHEMBL1018616 | 0.71 | — | — | |
| SCHEMBL2009490 | 0.70 | — | — | |
| Diethylamine SCHEMBL29452965 | 0.70 | — | — |
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-104003841-B | The method for preparing the alkoxide of calcium | 中国石油大学(华东) | 2018-05-25 | — | — | CN | claimed |
| CN-104003841-B | The method for preparing the alkoxide of calcium | 中国石油大学(华东) | 2018-05-25 | — | — | CN | disclosed |