⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3576015 | 0.81 | TP53 (0.35) | — | |
| SCHEMBL5828751 | 0.81 | TP53 (0.35) | — | |
| SCHEMBL12017936 | 0.77 | — | — | |
| SCHEMBL10350768 | 0.77 | — | — | |
| SCHEMBL25726188 | 0.72 | HSD11B1 (0.38) | — | |
| SCHEMBL18322797 | 0.72 | L3MBTL1 (0.35) | — | |
| SCHEMBL873177 | 0.72 | EPHX2 (0.35) | — | |
| SCHEMBL12765351 | 0.69 | TP53 (0.31) | — | |
| SCHEMBL19869617 | 0.69 | EPHX2 (0.38) | — | |
| SCHEMBL27435769 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116425720-A | Preparation method of delafloxacin meglumine | 广东东阳光药业有限公司 | 2023-07-14 | — | — | CN | claimed |
| CN-116425720-A | Preparation method of delafloxacin meglumine | 广东东阳光药业有限公司 | 2023-07-14 | — | — | CN | disclosed |
| US-7101895-B2 | Cyclohexyl sulphone derivatives as gamma-secretase inhibitors | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-05 | — | — | US | disclosed |
| US-20040122050-A1 | Cyclohexyl sulphone derivatives as gamma-secretase inhibitors | MERCK SHARP & DOHME LTD. (GB) | 2004-06-24 | — | — | US | disclosed |