⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27789271 | 0.79 | CA1 (0.30) | — | |
| SCHEMBL7193413 | 0.75 | CA2 (0.45) | — | |
| SCHEMBL27541741 | 0.74 | — | — | |
| SCHEMBL8746574 | 0.74 | — | — | |
| SCHEMBL10582494 | 0.72 | — | — | |
| SCHEMBL17746590 | 0.72 | CA2 (0.34) | — | |
| Sulfuric Acid SCHEMBL17673144 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL4951190 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL11114467 | 0.70 | — | — | |
| Thiosulfuric Acid SCHEMBL5551548 | 0.69 | CA2 (0.32) | — |
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-113841280-A | Electrolyte composition, solvent composition, nonaqueous electrolyte solution and use thereof | 株式会社日本触媒 | 2021-12-24 | — | — | CN | disclosed |
| WO-2015103583-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-07-09 | — | — | WO | disclosed |