⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8282516 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL15112815 | 0.72 | CCNE2 (0.31) | — | |
| SCHEMBL18416044 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL11890974 | 0.70 | RIPK1 (0.39) | — | |
| SCHEMBL17516304 | 0.70 | RIPK1 (0.39) | — | |
| SCHEMBL7897253 | 0.70 | — | — | |
| SCHEMBL8282662 | 0.69 | — | — | |
| SCHEMBL7953350 | 0.69 | — | — | |
| SCHEMBL24136366 | 0.69 | TDP1 (0.36) | — | |
| SCHEMBL11298588 | 0.68 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| 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 |