⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL9577160 | 0.85 | ALDH1A1 (0.38) | — | |
| SCHEMBL264242 | 0.85 | — | — | |
| Ethane SCHEMBL28883021 | 0.82 | — | — | |
| SCHEMBL27623258 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL27812724 | 0.82 | — | — | |
| Propane SCHEMBL28957170 | 0.71 | ALDH1A1 (0.33) | — | |
| Acrylonitrile SCHEMBL28221539 | 0.70 | — | — | |
| SCHEMBL28832803 | 0.70 | HSD17B10 (0.34) | — | |
| Ether SCHEMBL3642999 | 0.69 | — | — | |
| SCHEMBL29044968 | 0.69 | TSHR (0.32) | — |
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-109790274-A | URETHANE RESIN USING POLYROTAXANE, AND POLISHING PAD | 株式会社德山 | 2019-05-21 | — | — | CN | disclosed |