⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL74895 | 0.97 | — | — | |
| Rubidium SCHEMBL4809347 | 0.94 | — | — | |
| Ethane SCHEMBL31707415 | 0.94 | HSD17B10 (0.31) | — | |
| SCHEMBL4811732 | 0.94 | — | — | |
| SCHEMBL4810944 | 0.94 | — | — | |
| SCHEMBL25388028 | 0.94 | HSD17B10 (0.31) | — | |
| SCHEMBL4814993 | 0.94 | — | — | |
| SCHEMBL4810651 | 0.94 | — | — | |
| Alcohol SCHEMBL27558825 | 0.91 | TSHR (0.35) | — | |
| Methylamine SCHEMBL14855897 | 0.91 | CA1 (0.31) | — |
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-109467102-A | A method of SBA-15 molecular sieve is synthesized using SILICA FUME | 昆明理工大学 | 2019-03-15 | — | — | CN | disclosed |