⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27964538 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL28616 | 0.97 | — | — | |
| SCHEMBL30422249 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27300383 | 0.93 | — | — | |
| Methane SCHEMBL6010914 | 0.93 | — | — | |
| SCHEMBL28548147 | 0.90 | — | — | |
| SCHEMBL2679530 | 0.90 | ALDH1A1 (0.42) | — | |
| SCHEMBL26481 | 0.87 | — | — | |
| SCHEMBL1697125 | 0.87 | GPR84 (0.50) | — | |
| SCHEMBL8467380 | 0.87 | GPR84 (0.50) | — |
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-A | Method for preparing alkoxide of calcium | UNIV CHINA PETROLEUM | 2014-08-27 | — | — | CN | claimed |
| CN-104003841-A | Method for preparing alkoxide of calcium | UNIV CHINA PETROLEUM | 2014-08-27 | — | — | CN | disclosed |