⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL379558 | 0.77 | — | — | |
| SCHEMBL471123 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL464922 | 0.69 | — | — | |
| SCHEMBL2069566 | 0.69 | — | — | |
| SCHEMBL1794896 | 0.69 | — | — | |
| SCHEMBL8741211 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9724698 | 0.67 | — | — | |
| SCHEMBL10339644 | 0.67 | — | — | |
| Metformin SCHEMBL25407533 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL408948 | 0.65 | — | — |
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-111315718-A | Molecules having one hydrophobic group and two identical hydrophilic ionic groups and compositions thereof | 埃科莱布美国股份有限公司 | 2020-06-19 | — | — | CN | disclosed |