⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21322496 | 0.80 | GAA (0.33) | — | |
| SCHEMBL19868251 | 0.79 | — | — | |
| SCHEMBL3827816 | 0.79 | BCHE (0.35) | — | |
| SCHEMBL13115855 | 0.74 | SLC18A2 (0.31) | — | |
| SCHEMBL13634410 | 0.74 | SLC18A2 (0.31) | — | |
| SCHEMBL22571284 | 0.73 | LMNA (0.32) | — | |
| SCHEMBL18069335 | 0.71 | PHGDH (0.33) | — | |
| SCHEMBL8278733 | 0.71 | PHGDH (0.33) | — | |
| SCHEMBL13991699 | 0.71 | ATM (0.36) | — | |
| SCHEMBL10076623 | 0.69 | ACE (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 |