⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2177382 | 0.67 | — | — | |
| SCHEMBL2092370 | 0.67 | — | — | |
| SCHEMBL15297680 | 0.67 | — | — | |
| SCHEMBL1260017 | 0.67 | — | — | |
| SCHEMBL6824159 | 0.66 | — | — | |
| SCHEMBL19276531 | 0.65 | HRH1 (0.38) | — | |
| SCHEMBL3822232 | 0.64 | NOTUM (0.37) | — | |
| SCHEMBL2096435 | 0.64 | CES1 (0.35) | — | |
| SCHEMBL2096889 | 0.64 | — | — | |
| SCHEMBL14744543 | 0.63 | HTT (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233849-A1 | HETEROARYLALKYLENE ARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. Hoffmann-La Roche AG (CH) | 2017-10-25 | — | — | EP | claimed |
| WO-2016096936-A1 | HETEROARYLALKYLENE ARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-23 | — | — | WO | claimed |
| EP-3233849-A1 | HETEROARYLALKYLENE ARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. Hoffmann-La Roche AG (CH) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016096936-A1 | HETEROARYLALKYLENE ARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-23 | — | — | WO | disclosed |
| WO-1994019330-A1 | HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1994-09-01 | — | — | WO | disclosed |