⚠ 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 | |
|---|---|---|---|---|
| Sulfurous Acid SCHEMBL28135632 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL7709859 | 0.78 | — | — | |
| Sulfurous Acid SCHEMBL27899612 | 0.78 | — | — | |
| Sulfurous Acid SCHEMBL28020276 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL11229480 | 0.78 | — | — | |
| Sulfurous Acid SCHEMBL2424977 | 0.73 | CA1 (0.86) | — | |
| Sulfurous Acid SCHEMBL3388945 | 0.73 | — | — | |
| Sulfurous Acid SCHEMBL11325410 | 0.73 | CA1 (0.86) | — | |
| SCHEMBL5691 | 0.73 | — | — | |
| Sulfurous Acid SCHEMBL36786 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106631882-A | Multi-ammonia dithio-formic acid sulfite derivative and preparation method and application thereof | 吕梁学院 | 2017-05-10 | — | — | CN | claimed |
| CN-106432631-B | A kind of polycarboxylate water-reducer and preparation method thereof | 吕梁学院 | 2019-06-07 | — | — | CN | disclosed |
| CN-106432631-B | A kind of polycarboxylate water-reducer and preparation method thereof | 吕梁学院 | 2019-06-07 | — | — | CN | disclosed |
| CN-106631882-A | Multi-ammonia dithio-formic acid sulfite derivative and preparation method and application thereof | 吕梁学院 | 2017-05-10 | — | — | CN | disclosed |