⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2388739 | 0.71 | — | — | |
| SCHEMBL15533248 | 0.70 | — | — | |
| SCHEMBL15296977 | 0.66 | — | — | |
| SCHEMBL19224062 | 0.64 | — | — | |
| SCHEMBL15533566 | 0.64 | ARG1 (0.33) | — | |
| SCHEMBL2388751 | 0.63 | MAPT (0.31) | — | |
| SCHEMBL22576252 | 0.63 | — | — | |
| SCHEMBL24754481 | 0.61 | — | — | |
| SCHEMBL18411885 | 0.58 | — | — | |
| SCHEMBL21504403 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018052903-A1 | RORγ MODULATORS | THE SCRIPPS RESEARCH INTITUTE (US) | 2018-03-22 | — | — | WO | disclosed |