⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7974834 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL28591413 | 0.65 | — | — | |
| SCHEMBL11662836 | 0.62 | — | — | |
| SCHEMBL7190881 | 0.62 | — | — | |
| SCHEMBL3259932 | 0.62 | — | — | |
| SCHEMBL8488894 | 0.62 | — | — | |
| SCHEMBL10423895 | 0.62 | — | — | |
| SCHEMBL4853981 | 0.62 | — | — | |
| SCHEMBL508517 | 0.62 | — | — | |
| SCHEMBL9813262 | 0.62 | — | — |
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-111356530-A | Multi-needle solid phase micro-extraction device | 西格马-奥尔德里奇有限责任公司 | 2020-06-30 | — | — | CN | disclosed |