⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3403009 | 0.96 | TSHR (0.30) | — | |
| SCHEMBL28021704 | 0.92 | MEN1 (0.32) | — | |
| SCHEMBL1592990 | 0.88 | — | — | |
| SCHEMBL3402992 | 0.86 | — | — | |
| Water SCHEMBL29196470 | 0.83 | — | — | |
| SCHEMBL1626110 | 0.81 | — | — | |
| SCHEMBL5494304 | 0.81 | — | — | |
| SCHEMBL8719995 | 0.81 | — | — | |
| SCHEMBL15463061 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL1593153 | 0.79 | — | — |
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-117926584-A | Water-soluble sizing agent, preparation method thereof and application of water-soluble sizing agent in surface modification of fibers | 中国石油化工股份有限公司 | 2024-04-26 | — | — | CN | disclosed |