⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7103825 | 0.81 | HASPIN (0.31) | — | |
| SCHEMBL456089 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL5673498 | 0.76 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL4969435 | 0.76 | HRH2 (0.32) | — | |
| SCHEMBL4861987 | 0.75 | GSK3B (0.43) | — | |
| SCHEMBL455756 | 0.74 | MAPK1 (0.42) | — | |
| SCHEMBL5676524 | 0.68 | HRH3 (0.44) | — | |
| SCHEMBL4868654 | 0.66 | MAPT (0.36) | — | |
| SCHEMBL4863454 | 0.66 | HPGDS (0.37) | — | |
| SCHEMBL5673522 | 0.66 | HRH3 (0.36) | — |
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-2613630-A1 | HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES | Cempra Pharmaceuticals, Inc. (US) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012034058-A1 | HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES | CEMPRA PHARMACEUTICALS, INC. (US) | 2012-03-15 | — | — | WO | disclosed |