⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23485486 | 0.94 | SLC6A3 (0.33) | — | |
| SCHEMBL2781863 | 0.81 | SLC6A3 (0.35) | — | |
| SCHEMBL2704280 | 0.81 | — | — | |
| SCHEMBL185384 | 0.79 | SLC6A3 (0.39) | — | |
| SCHEMBL20130842 | 0.78 | — | — | |
| SCHEMBL9450417 | 0.74 | — | — | |
| SCHEMBL1795836 | 0.71 | — | — | |
| SCHEMBL14421044 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL6032324 | 0.69 | — | — | |
| SCHEMBL16751810 | 0.67 | SLC6A3 (0.32) | — |
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-11052092-B2 | N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases | GENFIT (FR) | 2021-07-06 | — | — | US | disclosed |