⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8461054 | 0.83 | THRB (0.30) | — | |
| SCHEMBL6287586 | 0.83 | — | — | |
| SCHEMBL5626548 | 0.80 | THRB (0.35) | — | |
| SCHEMBL160172 | 0.78 | THRB (0.33) | — | |
| SCHEMBL1764054 | 0.75 | — | — | |
| SCHEMBL27705780 | 0.75 | THRB (0.32) | — | |
| SCHEMBL59848 | 0.75 | THRB (0.43) | — | |
| SCHEMBL8995957 | 0.75 | — | — | |
| SCHEMBL15352018 | 0.75 | — | — | |
| SCHEMBL15351620 | 0.75 | — | — |
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-106589307-A | Waterborne polyurethane coating agent with good water resistance and flame retardance and preparation method thereof | 安庆市德诚化工有限公司 | 2017-04-26 | — | — | CN | disclosed |
| US-5565564-A | PROVIDES DURABLE WATER-, OIL-, AND SOIL REPELLENT PROPERTIES TO FIBROUS SUBSTRATES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-10-15 | — | — | US | disclosed |