⚠ 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 | |
|---|---|---|---|---|
| Hydroxyamine SCHEMBL1453927 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL4236802 | 0.79 | — | — | |
| SCHEMBL27602910 | 0.79 | — | — | |
| SCHEMBL1454954 | 0.77 | — | — | |
| SCHEMBL18571215 | 0.77 | — | — | |
| SCHEMBL4908461 | 0.77 | PLA2G1B (0.40) | — | |
| SCHEMBL3584670 | 0.76 | — | — | |
| SCHEMBL23970054 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL15323548 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL122495 | 0.75 | PLA2G1B (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101045759-B | Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof | DINGLAN GREEN CHEMICAL INST CO LTD CHANGZHOU | 2011-06-01 | — | — | CN | claimed |
| CN-101045759-A | Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof | DINGLAN GREEN CHEMICAL INST CO (CN) | 2007-10-03 | — | — | CN | claimed |
| CN-101045759-B | Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof | DINGLAN GREEN CHEMICAL INST CO LTD CHANGZHOU | 2011-06-01 | — | — | CN | disclosed |
| CN-101045759-A | Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof | DINGLAN GREEN CHEMICAL INST CO (CN) | 2007-10-03 | — | — | CN | disclosed |