⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18407691 | 0.98 | — | — | |
| SCHEMBL18407700 | 0.79 | — | — | |
| SCHEMBL18407695 | 0.79 | — | — | |
| SCHEMBL10218679 | 0.79 | — | — | |
| SCHEMBL18407704 | 0.78 | — | — | |
| SCHEMBL18407692 | 0.78 | — | — | |
| SCHEMBL10218670 | 0.77 | — | — | |
| SCHEMBL10218671 | 0.77 | — | — | |
| SCHEMBL19186128 | 0.74 | — | — | |
| SCHEMBL18407706 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170022195-A1 | ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2017-01-26 | — | — | US | disclosed |