⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42430 | 0.89 | — | — | |
| SCHEMBL11177853 | 0.85 | — | — | |
| SCHEMBL8349157 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL17143853 | 0.85 | — | — | |
| SCHEMBL11133985 | 0.85 | — | — | |
| SCHEMBL30820072 | 0.85 | — | — | |
| Acetic Acid SCHEMBL10972398 | 0.84 | — | — | |
| Bicarbonate SCHEMBL10603331 | 0.83 | — | — | |
| 2-Pyrrolidone SCHEMBL1436788 | 0.82 | — | — | |
| Acetamide SCHEMBL27447869 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104321395-B | aqueous coating composition and method for forming coating film | 关西涂料株式会社 | 2018-03-20 | — | — | CN | disclosed |