⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23194386 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL22453301 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL12761062 | 0.69 | GAA (0.31) | — | |
| SCHEMBL16316616 | 0.64 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL10037219 | 0.63 | — | — | |
| SCHEMBL48990 | 0.63 | — | — | |
| SCHEMBL8291026 | 0.62 | — | — | |
| SCHEMBL7800989 | 0.62 | — | — | |
| SCHEMBL14134379 | 0.61 | SPHK1 (0.31) | — | |
| SCHEMBL16558979 | 0.61 | SPHK1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3497093-B1 | SULFONYL PYRIDYL TRP INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-09-15 | — | — | EP | disclosed |
| WO-2018029288-A1 | SULFONYL PYRIDYL TRP INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-02-15 | — | — | WO | disclosed |
| US-20160264567-A1 | SUBSTITUTED SULFONAMIDE COMPOUNDS | GENENTECH, INC. (US) | 2016-09-15 | — | — | US | disclosed |