⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28866485 | 0.97 | MGAM (0.40) | — | |
| SCHEMBL6116108 | 0.84 | — | — | |
| SCHEMBL15745840 | 0.81 | MGAM (0.57) | — | |
| SCHEMBL29065167 | 0.80 | — | — | |
| SCHEMBL17550119 | 0.80 | CYP1A2 (0.45) | — | |
| SCHEMBL28340166 | 0.78 | MGAM (0.52) | — | |
| SCHEMBL28005768 | 0.78 | ADRA2A (0.44) | — | |
| SCHEMBL2303375 | 0.77 | LMNA (0.46) | — | |
| SCHEMBL946642 | 0.76 | — | — | |
| SCHEMBL497945 | 0.76 | — | — |
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-114947008-A | Application of calcium pyruvate in preparation of target activated large yellow croaker AMPK feed and feed | 中国海洋大学 | 2022-08-30 | — | — | CN | disclosed |