⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12525042 | 0.77 | ESR2 (0.45) | — | |
| SCHEMBL13240744 | 0.77 | ESR2 (0.45) | — | |
| SCHEMBL12528053 | 0.77 | ESR2 (0.45) | — | |
| Hydrochloric Acid SCHEMBL13275334 | 0.75 | ESR2 (0.44) | — | |
| SCHEMBL2023630 | 0.75 | SLC6A4 (0.32) | — | |
| SCHEMBL2023629 | 0.75 | SLC6A4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL13275335 | 0.75 | ESR2 (0.44) | — | |
| SCHEMBL2023632 | 0.75 | SLC6A4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL13275333 | 0.75 | ESR2 (0.44) | — | |
| SCHEMBL15191493 | 0.75 | OPRL1 (0.36) | — |
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-2344449-A1 | ARYL-PHENYL-SULFONAMIDO-CYCLOALKYL COMPOUNDS AND THEIR USE | Pimco 2664 Limited (GB) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010032009-A1 | ARYL-PHENYL-SULFONAMIDO-CYCLOALKYL COMPOUNDS AND THEIR USE | PIMCO 2664 LIMITED (GB) | 2010-03-25 | — | — | WO | disclosed |