⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2228614 | 0.85 | — | — | |
| SCHEMBL11613606 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL10105739 | 0.85 | MEN1 (0.33) | — | |
| Ethylene Glycol SCHEMBL27645868 | 0.82 | TSHR (0.37) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL2271102 | 0.82 | TSHR (0.71) | — | |
| SCHEMBL399171 | 0.80 | MEN1 (0.65) | — | |
| Triethylene Glycol SCHEMBL27836955 | 0.78 | MEN1 (0.85) | — | |
| Hexaethylene Glycol SCHEMBL28265392 | 0.78 | MEN1 (0.85) | — | |
| SCHEMBL19000749 | 0.78 | MEN1 (1.00) | — | |
| SCHEMBL19305255 | 0.78 | MEN1 (1.00) | — |
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-110483531-B | Water-soluble porphyrin alkene derivative, preparation method, antitumor drug and application | 李德芳 | 2020-08-04 | — | — | CN | disclosed |