⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31272759 | 0.67 | TDP1 (0.30) | — | |
| SCHEMBL28700155 | 0.65 | — | — | |
| SCHEMBL4822576 | 0.58 | — | — | |
| SCHEMBL28795096 | 0.58 | — | — | |
| SCHEMBL4821764 | 0.58 | — | — | |
| SCHEMBL10925370 | 0.56 | ALDH1A1 (0.35) | — | |
| SCHEMBL3261673 | 0.54 | TDP1 (0.38) | — | |
| SCHEMBL2619 | 0.54 | — | — | |
| SCHEMBL51455 | 0.54 | — | — | |
| SCHEMBL1286115 | 0.53 | — | — |
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-1994015617-A1 | 8A-AZA AND 9A-AZA MACROLIDE ANTIBIOTICS, AND A PROCESS FOR PRODUCING SAME AND METHODS OF USE | MERCK & CO., INC. (US) | 1994-07-21 | — | — | WO | disclosed |