⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL604334 | 0.97 | — | — | |
| SCHEMBL1408736 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL16103955 | 0.80 | — | — | |
| SCHEMBL605277 | 0.76 | — | — | |
| SCHEMBL2043882 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL28470584 | 0.75 | — | — | |
| SCHEMBL69039 | 0.75 | — | — | |
| SCHEMBL15031087 | 0.75 | — | — | |
| SCHEMBL27698013 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL27702097 | 0.73 | ALDH1A1 (0.32) | — |
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-105986308-A | Electrolyte composition for removing flash and method for removing flash | 化研科技株式会社 | 2016-10-05 | — | — | CN | disclosed |