⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28054870 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL27478440 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL27949106 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL10397166 | 0.87 | — | — | |
| SCHEMBL11044572 | 0.87 | — | — | |
| SCHEMBL2776671 | 0.87 | — | — | |
| SCHEMBL949941 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL5961146 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL28903520 | 0.82 | — | — | |
| Phosphine SCHEMBL8339518 | 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-107163992-B | Auxiliary agent for improving viscosity-temperature characteristics of coal ash slag and application thereof | 中国科学院山西煤炭化学研究所 | 2019-12-27 | — | — | CN | disclosed |