⚠ 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 | |
|---|---|---|---|---|
| Vinylsulfonic Acid SCHEMBL16079 | 0.96 | — | — | |
| Vinylsulfonic Acid SCHEMBL31630836 | 0.96 | CA5A (0.42) | — | |
| Vinylsulfonic Acid SCHEMBL8718265 | 0.92 | — | — | |
| Vinylsulfonic Acid SCHEMBL9459918 | 0.92 | — | — | |
| Vinylsulfonic Acid SCHEMBL9559885 | 0.92 | — | — | |
| Vinylsulfonic Acid SCHEMBL1579850 | 0.92 | — | — | |
| Vinylsulfonic Acid SCHEMBL17476628 | 0.92 | — | — | |
| Vinylsulfonic Acid SCHEMBL17476630 | 0.92 | — | — | |
| Vinylsulfonic Acid SCHEMBL9081507 | 0.92 | — | — | |
| Vinylsulfonic Acid SCHEMBL15841429 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001019516-A | CEMENT ADMIXTURE AND CEMENT COMPOSITION | DENKI KAGAKU KOGYO KK | 2001-01-23 | — | — | JP | disclosed |