⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL335627 | 0.91 | — | — | |
| SCHEMBL28924116 | 0.88 | — | — | |
| Cyanide SCHEMBL5505444 | 0.80 | — | — | |
| Pyridine SCHEMBL20304439 | 0.77 | TSHR (0.43) | — | |
| Methyl Alcohol SCHEMBL11022854 | 0.47 | — | — | |
| Methyl Alcohol SCHEMBL7730658 | 0.47 | — | — | |
| Methyl Alcohol SCHEMBL29483746 | 0.47 | — | — | |
| Methyl Alcohol SCHEMBL10869705 | 0.42 | — | — | |
| Methyl Alcohol SCHEMBL22244903 | 0.42 | — | — | |
| Methyl Alcohol SCHEMBL28356272 | 0.42 | — | — |
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-112451667-A | Preparation method of copper porphyrin-folic acid liposome nanoparticles and application of copper porphyrin-folic acid liposome nanoparticles as sound-sensitive agent | 广东医科大学 | 2021-03-09 | — | — | CN | disclosed |