⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2866779 | 0.86 | — | — | |
| SCHEMBL2866753 | 0.84 | — | — | |
| Auriclosene SCHEMBL994601 | 0.73 | — | — | |
| Auriclosene SCHEMBL1537304 | 0.72 | — | — | |
| SCHEMBL2866445 | 0.71 | — | — | |
| SCHEMBL3379316 | 0.68 | CYP1A2 (0.32) | — | |
| SCHEMBL20893589 | 0.66 | — | — | |
| SCHEMBL2873018 | 0.65 | PTGS1 (0.32) | — | |
| SCHEMBL2872929 | 0.65 | — | — | |
| SCHEMBL2872763 | 0.63 | — | — |
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-2120965-A1 | N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES | Novabay Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008083347-A1 | N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES | NOVABAY PHARMACEUTICALS, INC. (US) | 2008-07-10 | — | — | WO | disclosed |