⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL691010 | 0.80 | — | — | |
| SCHEMBL587598 | 0.80 | — | — | |
| Oxalic Acid SCHEMBL27665484 | 0.76 | CA1 (0.36) | — | |
| Hydrogen Peroxide SCHEMBL441250 | 0.74 | — | — | |
| Bicarbonate SCHEMBL9007968 | 0.73 | CA1 (0.46) | — | |
| SCHEMBL16754805 | 0.73 | — | — | |
| Acetic Acid SCHEMBL64808 | 0.73 | — | — | |
| Acetic Acid SCHEMBL734341 | 0.73 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL10577520 | 0.70 | FFAR3 (0.58) | — | |
| Bicarbonate SCHEMBL27864505 | 0.68 | — | — |
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-105324436-B | Solidification compound and its solidfied material | 株式会社钟化 | 2018-08-28 | — | — | CN | disclosed |