⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3855455 | 0.85 | ODC1 (0.32) | — | |
| SCHEMBL5014718 | 0.81 | FDPS (0.32) | — | |
| SCHEMBL2210382 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL5013324 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL11566596 | 0.73 | SMPD1 (0.41) | — | |
| SCHEMBL8422535 | 0.72 | — | — | |
| SCHEMBL11272978 | 0.72 | — | — | |
| SCHEMBL5016693 | 0.70 | CA1 (0.32) | — | |
| SCHEMBL627751 | 0.70 | — | — | |
| SCHEMBL10619203 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2341886-B1 | ANTIMICROBIAL N-CHLORINATED COMPOSITIONS | NOVABAY PHARMACEUTICALS INC (US) | 2015-08-26 | — | — | EP | disclosed |
| US-8278482-B2 | Antimicrobial N-chlorinated compositions | NOVABAY PHARMACEUTICALS, INC. (US) | 2012-10-02 | — | — | US | disclosed |
| US-20100158818-A1 | ANTIMICROBIAL N-CHLORINATED COMPOSITIONS | NOVABAY PHARMACEUTICALS, INC. | 2010-06-24 | — | — | US | disclosed |