⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2344956 | 0.81 | — | — | |
| SCHEMBL915237 | 0.81 | — | — | |
| SCHEMBL910013 | 0.75 | NPSR1 (0.30) | — | |
| SCHEMBL4563960 | 0.74 | — | — | |
| SCHEMBL11024741 | 0.70 | — | — | |
| SCHEMBL10816757 | 0.67 | MMP9 (0.32) | — | |
| SCHEMBL10636162 | 0.67 | ELANE (0.40) | — | |
| SCHEMBL22578 | 0.63 | — | — | |
| SCHEMBL10587993 | 0.63 | MMP9 (0.32) | — | |
| SCHEMBL3911546 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4382799-A | BROMINATED HYDANTOINS, ISOCYANURATES | GLYCO CHEMICALS, INC. (US) | 1983-05-10 | — | — | US | claimed |
| CN-101014241-B | Novel solid compositions for disinfecting water | BROMINE COMPOUNDS LTD | 2011-11-23 | — | — | CN | disclosed |
| US-20080038303-A1 | Novel Solid Compositions for Disinfected Water | BROMINE COMPOUNDS LTD. (IL) | 2008-02-14 | — | — | US | disclosed |
| CN-101014241-A | Novel solid compositions for disinfecting water | BROMINE COMPOUNDS LTD (IL) | 2007-08-08 | — | — | CN | disclosed |