⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL68461 | 0.96 | — | — | |
| Water SCHEMBL28170240 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL6160570 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6160563 | 0.77 | TSHR (0.40) | — | |
| SCHEMBL28224575 | 0.75 | — | — | |
| SCHEMBL15150843 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27551993 | 0.72 | TSHR (0.50) | — | |
| SCHEMBL616329 | 0.72 | — | — | |
| SCHEMBL296997 | 0.71 | — | — | |
| Water SCHEMBL28335546 | 0.69 | — | — |
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-107163254-A | A kind of preparation method and applications of solvent-borne type hydro-oleophobicity fluorohydrocarbon base silicones | 陕西科技大学 | 2017-09-15 | — | — | CN | disclosed |