⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL932358 | 0.82 | TSHR (0.40) | — | |
| Methyl Alcohol SCHEMBL17686816 | 0.79 | ANPEP (0.38) | — | |
| SCHEMBL15122 | 0.79 | TSHR (0.43) | — | |
| Fluoride Ion SCHEMBL8930652 | 0.76 | TSHR (0.40) | — | |
| Water SCHEMBL4443342 | 0.76 | TSHR (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL10884954 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL1966914 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL9745814 | 0.73 | TSHR (0.44) | — | |
| SCHEMBL152801 | 0.73 | TSHR (0.43) | — | |
| SCHEMBL6121770 | 0.73 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0533202-A1 | Use of capped surfactants for production of rigid polyurethane foams blown with hydrochlorofluorocarbons | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-03-24 | — | — | EP | disclosed |