⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4782152 | 0.84 | — | — | |
| SCHEMBL17210141 | 0.84 | — | — | |
| SCHEMBL7168655 | 0.82 | CA12 (0.46) | — | |
| SCHEMBL10879050 | 0.82 | CA12 (0.46) | — | |
| SCHEMBL6059226 | 0.79 | — | — | |
| SCHEMBL299757 | 0.78 | ZDHHC20 (0.42) | — | |
| SCHEMBL8645860 | 0.78 | SLC6A2 (0.42) | — | |
| SCHEMBL173891 | 0.77 | — | — | |
| SCHEMBL10973543 | 0.77 | PTGS1 (0.31) | — | |
| SCHEMBL18218298 | 0.77 | ANPEP (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1692092-B1 | USE OF BIS-AMINES TO ENHANCE THE ANTIMICROBIAL ACTIVITY OF AQUEOUS COMPOSITIONS | ALCON INC (CH) | 2009-04-15 | — | — | EP | disclosed |