⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30567388 | 1.00 | — | — | |
| SCHEMBL9150748 | 0.72 | — | — | |
| SCHEMBL500324 | 0.69 | — | — | |
| SCHEMBL11548944 | 0.69 | — | — | |
| SCHEMBL500323 | 0.69 | — | — | |
| SCHEMBL11547948 | 0.69 | — | — | |
| SCHEMBL1786109 | 0.65 | KISS1R (0.32) | — | |
| SCHEMBL1786107 | 0.65 | KISS1R (0.32) | — | |
| SCHEMBL1658898 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL1658897 | 0.64 | ALDH1A1 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116730891-B | Two new alkaloid compounds in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2024-03-01 | — | — | CN | claimed |
| CN-116730891-A | Two new alkaloid compounds in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2023-09-12 | — | — | CN | claimed |
| CN-116730891-B | Two new alkaloid compounds in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2024-03-01 | — | — | CN | disclosed |
| CN-116730891-B | Two new alkaloid compounds in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2024-03-01 | — | — | CN | disclosed |
| CN-116730891-A | Two new alkaloid compounds in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2023-09-12 | — | — | CN | disclosed |
| CN-116730891-A | Two new alkaloid compounds in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2023-09-12 | — | — | CN | disclosed |