⚠ 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 | |
|---|---|---|---|---|
| Cysteine SCHEMBL28130984 | 1.00 | — | — | |
| Cysteine SCHEMBL28607712 | 0.97 | — | — | |
| Cysteine SCHEMBL339562 | 0.97 | PTGS1 (1.00) | — | |
| Cysteine SCHEMBL4289403 | 0.97 | — | — | |
| Cysteine SCHEMBL29389824 | 0.97 | — | — | |
| Cysteine SCHEMBL5705426 | 0.97 | PTGS1 (1.00) | — | |
| Cysteine SCHEMBL1868335 | 0.97 | PTGS1 (1.00) | — | |
| Cysteine SCHEMBL95110 | 0.97 | — | — | |
| Cysteine SCHEMBL21110883 | 0.97 | PTGS1 (1.00) | — | |
| Cysteine SCHEMBL5705430 | 0.97 | PTGS1 (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-104478555-B | Ensure the safe rice growth output method of cadmium mild or moderate contaminated soil plantation and preparation used | 浙江大学 | 2017-03-08 | — | — | CN | disclosed |