⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19424 | 0.97 | — | — | |
| SCHEMBL28054516 | 0.97 | CYP2C19 (0.50) | — | |
| SCHEMBL27748637 | 0.93 | — | — | |
| SCHEMBL27740485 | 0.93 | — | — | |
| Diethylamine SCHEMBL28211596 | 0.93 | TP53 (0.53) | — | |
| Hydrochloric Acid SCHEMBL7037872 | 0.93 | — | — | |
| SCHEMBL28263242 | 0.93 | — | — | |
| Bromide SCHEMBL28379330 | 0.93 | — | — | |
| SCHEMBL27832787 | 0.93 | — | — | |
| Hydrogen Sulfide SCHEMBL28244437 | 0.93 | — | — |
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 |