⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14616178 | 0.78 | — | — | |
| SCHEMBL20258722 | 0.74 | — | — | |
| SCHEMBL24796792 | 0.72 | — | — | |
| SCHEMBL8293455 | 0.71 | — | — | |
| SCHEMBL20114829 | 0.70 | — | — | |
| SCHEMBL12944314 | 0.69 | HTR2A (0.31) | — | |
| SCHEMBL14767881 | 0.69 | — | — | |
| SCHEMBL8293444 | 0.69 | — | — | |
| SCHEMBL12801166 | 0.67 | — | — | |
| SCHEMBL8287059 | 0.66 | — | — |
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-2018104220-A1 | SULFONAMIDES AS INHIBITORS OF THE UPTAKE OF EXTRACELLULAR CITRATE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-06-14 | — | — | WO | disclosed |