⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27594351 | 0.80 | LMNA (0.34) | — | |
| SCHEMBL27612886 | 0.77 | DYRK1A (0.51) | — | |
| SCHEMBL27594326 | 0.76 | CYP3A4 (0.35) | — | |
| SCHEMBL27612815 | 0.76 | ERN1 (0.31) | — | |
| SCHEMBL27612793 | 0.71 | HDAC4 (0.40) | — | |
| SCHEMBL27612911 | 0.71 | HDAC1 (0.40) | — | |
| SCHEMBL27612983 | 0.66 | CYP19A1 (0.31) | — | |
| SCHEMBL6852359 | 0.65 | CYP19A1 (0.32) | — | |
| SCHEMBL6852349 | 0.65 | CYP19A1 (0.32) | — | |
| SCHEMBL27594228 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1585775-A | 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials | ORTHO MCNEIL PHARM INC (US) | 2005-02-23 | — | — | CN | disclosed |