⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14022478 | 0.91 | PIK3CD (0.38) | — | |
| SCHEMBL13527559 | 0.91 | PIK3CA (0.33) | — | |
| SCHEMBL20026322 | 0.87 | MAOB (0.32) | — | |
| SCHEMBL13527562 | 0.87 | MAOB (0.32) | — | |
| SCHEMBL13527622 | 0.86 | — | — | |
| SCHEMBL13527577 | 0.86 | MKNK1 (0.38) | — | |
| SCHEMBL14022480 | 0.86 | LTA4H (0.34) | — | |
| SCHEMBL20026167 | 0.86 | — | — | |
| SCHEMBL14082446 | 0.86 | AKR1C3 (0.34) | — | |
| SCHEMBL14083251 | 0.85 | HDAC1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008143730-A2 | MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2008-11-27 | — | — | WO | disclosed |