⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3069762 | 0.97 | — | — | |
| Diacetamide SCHEMBL5459490 | 0.78 | — | — | |
| SCHEMBL2229438 | 0.76 | EPHX1 (0.62) | — | |
| SCHEMBL18158143 | 0.76 | TAS2R38 (0.43) | — | |
| SCHEMBL727811 | 0.73 | — | — | |
| Diacetamide SCHEMBL97089 | 0.73 | — | — | |
| SCHEMBL6966453 | 0.73 | — | — | |
| SCHEMBL6966457 | 0.73 | — | — | |
| SCHEMBL3085108 | 0.71 | — | — | |
| SCHEMBL49411 | 0.71 | — | — |
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-117603056-A | Preparation method of light-colored polyurethane curing agent | 江苏湘园化工有限公司 | 2024-02-27 | — | — | CN | disclosed |