⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL631866 | 1.00 | — | — | |
| SCHEMBL910121 | 0.85 | — | — | |
| SCHEMBL909413 | 0.82 | ELANE (0.31) | — | |
| SCHEMBL909744 | 0.79 | — | — | |
| SCHEMBL5346364 | 0.79 | NPSR1 (0.31) | — | |
| SCHEMBL630913 | 0.79 | NPSR1 (0.31) | — | |
| SCHEMBL6060736 | 0.79 | — | — | |
| SCHEMBL910013 | 0.78 | NPSR1 (0.30) | — | |
| SCHEMBL22578 | 0.74 | — | — | |
| SCHEMBL4442255 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2021110-A2 | MULTIFUNCTIONAL SOLID FORMULATIONS FOR WATER CONDITIONING | Bromine Compounds Ltd. (IL) | 2009-02-11 | — | — | EP | disclosed |
| WO-2007122625-A2 | MULTIFUNCTIONAL SOLID FORMULATIONS FOR WATER CONDITIONING | BROMINE COMPOUNDS LTD. (IL) | 2007-11-01 | — | — | WO | disclosed |