⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8009240 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL3945045 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL8769902 | 0.75 | — | — | |
| SCHEMBL6245461 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL76817 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL387656 | 0.73 | — | — | |
| SCHEMBL19721528 | 0.73 | — | — | |
| SCHEMBL9132693 | 0.73 | — | — | |
| SCHEMBL1616882 | 0.71 | — | — | |
| SCHEMBL17021350 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022220198-A1 | LIQUID-REPELLENT AGENT COMPOSITION, METHOD FOR TREATING SUBSTRATE, AND ARTICLE | ＡＧＣ株式会社 | 2022-10-20 | — | — | WO | disclosed |