⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6113677 | 1.00 | — | — | |
| SCHEMBL8282145 | 0.98 | — | — | |
| SCHEMBL8282133 | 0.85 | — | — | |
| SCHEMBL6113461 | 0.81 | — | — | |
| SCHEMBL6113871 | 0.81 | — | — | |
| SCHEMBL8282137 | 0.79 | — | — | |
| SCHEMBL8282129 | 0.77 | — | — | |
| SCHEMBL8281900 | 0.76 | CA2 (0.37) | — | |
| SCHEMBL4562226 | 0.76 | CA2 (0.37) | — | |
| SCHEMBL8281910 | 0.76 | CA2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9248117-B2 | Substituted N,N-dihaloamines as antimicrobials | NOVABAY PHARMACEUTICALS, INC. (US) | 2016-02-02 | — | — | US | disclosed |
| US-20120129793-A1 | Antimicrobial Polyether and Polyol Compounds | NOVABAY PHARMACEUTICALS, INC. | 2012-05-24 | — | — | US | disclosed |