⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL234447 | 0.65 | — | — | |
| SCHEMBL17581097 | 0.65 | — | — | |
| SCHEMBL8154956 | 0.61 | — | — | |
| SCHEMBL17581105 | 0.59 | — | — | |
| Methylglyoxal SCHEMBL27379276 | 0.58 | — | — | |
| SCHEMBL731966 | 0.57 | — | — | |
| Hydrogen Sulfide SCHEMBL27824281 | 0.56 | — | — | |
| SCHEMBL8465936 | 0.54 | — | — | |
| SCHEMBL1870416 | 0.54 | — | — | |
| Tetramethylammonium Ion SCHEMBL36853 | 0.54 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102056953-B | Novel treatment of rock formations and novel polyampholytes | SEPPIC SA | 2015-02-11 | — | — | CN | claimed |
| CN-102056953-B | Novel treatment of rock formations and novel polyampholytes | SEPPIC SA | 2015-02-11 | — | — | CN | disclosed |