⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL705439 | 0.75 | — | — | |
| SCHEMBL941350 | 0.73 | — | — | |
| Water SCHEMBL27336036 | 0.73 | SLC22A6 (0.30) | — | |
| SCHEMBL11527926 | 0.73 | — | — | |
| Water SCHEMBL27851057 | 0.73 | — | — | |
| SCHEMBL6740266 | 0.73 | — | — | |
| SCHEMBL9134739 | 0.73 | — | — | |
| Potassium Ion SCHEMBL25263464 | 0.71 | — | — | |
| SCHEMBL5873349 | 0.69 | — | — | |
| SCHEMBL21003599 | 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-113741145-A | Liquid repellent, liquid repellent composition, cured resin, and article | 株式会社尼欧斯 | 2021-12-03 | — | — | CN | disclosed |