⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28336734 | 0.89 | — | — | |
| Methyl Alcohol SCHEMBL27352142 | 0.80 | — | — | |
| Ethane SCHEMBL27987357 | 0.80 | — | — | |
| Methyl Alcohol SCHEMBL6906274 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL37 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL1758729 | 0.78 | TSHR (1.00) | — | |
| Methyl Alcohol SCHEMBL12974204 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL9462322 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL9874757 | 0.78 | TSHR (1.00) | — | |
| Methyl Alcohol SCHEMBL11044850 | 0.78 | TSHR (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-113307814-A | Water-soluble carboxyl N-dislocation porphyrin and preparation method and application thereof | 宜春学院 | 2021-08-27 | — | — | CN | disclosed |