⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14778191 | 0.70 | TP53 (0.32) | — | |
| SCHEMBL23345579 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL20873470 | 0.67 | TP53 (0.34) | — | |
| SCHEMBL20478044 | 0.66 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL10660732 | 0.65 | TP53 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL28869779 | 0.65 | — | — | |
| SCHEMBL14779676 | 0.65 | — | — | |
| SCHEMBL29112582 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL19439721 | 0.62 | ALDH1A1 (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL628113 | 0.61 | EPHX1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2341886-A1 | ANTIMICROBIAL N-CHLORINATED COMPOSITIONS | NovaBay Pharmaceuticals, Inc. (US) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010054269-A1 | ANTIMICROBIAL N-CHLORINATED COMPOSITIONS | NOVABAY PHARMACEUTICALS, INC. (US) | 2010-05-14 | — | — | WO | disclosed |