⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7159140 | 0.76 | — | — | |
| SCHEMBL21846902 | 0.72 | — | — | |
| SCHEMBL17818278 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL13384200 | 0.71 | FDPS (0.35) | — | |
| SCHEMBL11941623 | 0.71 | — | — | |
| SCHEMBL11044827 | 0.70 | — | — | |
| SCHEMBL4978160 | 0.69 | — | — | |
| SCHEMBL950247 | 0.69 | — | — | |
| SCHEMBL5154022 | 0.69 | — | — | |
| SCHEMBL1269985 | 0.68 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651621-B1 | 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2008-08-06 | — | — | EP | claimed |
| EP-0521550-B1 | Vitamin D compound, method of preparing this compound and intermediate therefor | DUPHAR INT RES (NL) | 1996-09-18 | — | — | EP | claimed |