⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30749517 | 1.00 | — | — | |
| SCHEMBL7423787 | 0.74 | — | — | |
| SCHEMBL19583777 | 0.70 | — | — | |
| SCHEMBL1116611 | 0.64 | — | — | |
| SCHEMBL7859097 | 0.57 | MEN1 (0.32) | — | |
| SCHEMBL426650 | 0.57 | — | — | |
| SCHEMBL15366368 | 0.55 | — | — | |
| SCHEMBL29527845 | 0.55 | — | — | |
| SCHEMBL5389982 | 0.51 | MAPT (0.35) | — | |
| SCHEMBL2423308 | 0.47 | PARP1 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117447478-A | Ornithine alkaloid in alhagi sparsifolia, and extraction method and application thereof | 新疆维吾尔自治区人民医院 | 2024-01-26 | — | — | CN | claimed |
| CN-117447478-A | Ornithine alkaloid in alhagi sparsifolia, and extraction method and application thereof | 新疆维吾尔自治区人民医院 | 2024-01-26 | — | — | CN | disclosed |