⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16086237 | 0.87 | — | — | |
| SCHEMBL28828669 | 0.87 | — | — | |
| SCHEMBL27809105 | 0.87 | — | — | |
| SCHEMBL27930746 | 0.87 | — | — | |
| SCHEMBL27888216 | 0.75 | — | — | |
| Hydrogen Sulfide SCHEMBL27994976 | 0.75 | — | — | |
| SCHEMBL32679585 | 0.75 | — | — | |
| SCHEMBL28037671 | 0.75 | — | — | |
| SCHEMBL38656360 | 0.71 | — | — | |
| SCHEMBL59561 | 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-104549337-A | Oxidation catalyst for mercaptan in light oil, as well as preparation method and application of mercaptan oxidation catalyst | CHINA PETROLEUM & CHEMICAL | 2015-04-29 | — | — | CN | disclosed |