⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15064511 | 0.75 | — | — | |
| SCHEMBL24250333 | 0.75 | — | — | |
| SCHEMBL12958407 | 0.74 | — | — | |
| SCHEMBL18078544 | 0.71 | — | — | |
| SCHEMBL14374028 | 0.71 | — | — | |
| SCHEMBL12806664 | 0.71 | — | — | |
| SCHEMBL18569918 | 0.71 | — | — | |
| SCHEMBL17581051 | 0.70 | — | — | |
| SCHEMBL2380963 | 0.70 | — | — | |
| SCHEMBL12020912 | 0.70 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2402329-A1 | Analgetic phenylsulphonamides | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |