⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29245294 | 0.93 | TSHR (0.55) | — | |
| SCHEMBL50876 | 0.87 | TSHR (0.67) | — | |
| SCHEMBL237626 | 0.87 | — | — | |
| SCHEMBL575185 | 0.84 | TSHR (0.71) | — | |
| SCHEMBL388425 | 0.84 | — | — | |
| Methyl Alcohol SCHEMBL29249243 | 0.82 | TSHR (0.60) | — | |
| Fluoride SCHEMBL28903894 | 0.81 | TSHR (0.67) | — | |
| Ammonia Solution, Strong SCHEMBL9049883 | 0.81 | TSHR (0.67) | — | |
| SCHEMBL20261798 | 0.81 | TSHR (0.67) | — | |
| Triethyl Phosphate SCHEMBL3850859 | 0.81 | TSHR (0.77) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117024658-A | Phospholipid terminal functionalized rare earth isoprene rubber and preparation method and application thereof | 海南天然橡胶产业集团股份有限公司 | 2023-11-10 | — | — | CN | disclosed |
| US-4309422-A | INSECTICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1982-01-05 | — | — | US | disclosed |