⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL33153 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL3253403 | 0.84 | — | — | |
| Guanidine SCHEMBL28059514 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL5469991 | 0.66 | — | — | |
| SCHEMBL4881549 | 0.66 | — | — | |
| SCHEMBL4610493 | 0.63 | — | — | |
| SCHEMBL1349696 | 0.63 | — | — | |
| SCHEMBL2147291 | 0.61 | TSHR (0.32) | — | |
| SCHEMBL2101285 | 0.61 | — | — | |
| Sulfuric Acid SCHEMBL11876782 | 0.61 | CA5A (0.35) | — |
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-102849962-B | Preparation method of SiO2 super-hydrophobic film and super-hydrophobic material | BYD CO LTD | 2015-07-22 | — | — | CN | disclosed |