⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14938318 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL17801423 | 0.74 | — | — | |
| SCHEMBL11452392 | 0.74 | — | — | |
| SCHEMBL13474821 | 0.72 | — | — | |
| SCHEMBL194711 | 0.72 | — | — | |
| SCHEMBL10595844 | 0.72 | — | — | |
| Propionic Acid SCHEMBL462191 | 0.72 | TSHR (0.53) | — | |
| Benzene SCHEMBL27596481 | 0.72 | TSHR (0.53) | — | |
| SCHEMBL17870872 | 0.71 | — | — | |
| SCHEMBL7646236 | 0.71 | CYP3A4 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0078169-B1 | POLYMERISABLE MONOMERS, POLYMER DISPERSIONS AND DERIVED PAINTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-28 | — | — | EP | claimed |
| EP-0078169-A2 | Polymerisable monomers, polymer dispersions and derived paints | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-05-04 | — | — | EP | claimed |
| US-6245579-B1 | WATER SOLUBLE POLYMERIC THIOSULFATE SURFACE COATINGS | UNIVERSITAT KARLSRUHE (DE) | 2001-06-12 | — | — | US | disclosed |
| US-4079025-A | ADDITION POLYMER | A. E. STALEY MANUFACTURING COMPANY (US) | 1978-03-14 | — | — | US | disclosed |