⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28278573 | 0.90 | — | — | |
| SCHEMBL19785969 | 0.89 | RORC (0.35) | — | |
| SCHEMBL29613585 | 0.89 | RORC (0.35) | — | |
| SCHEMBL28278664 | 0.88 | PARP1 (0.37) | — | |
| SCHEMBL29613560 | 0.80 | PTGDR2 (0.41) | — | |
| SCHEMBL19785976 | 0.80 | PTGDR2 (0.41) | — | |
| SCHEMBL19785788 | 0.79 | RORC (0.34) | — | |
| SCHEMBL29613541 | 0.79 | RORC (0.34) | — | |
| SCHEMBL21354273 | 0.77 | RORC (0.40) | — | |
| SCHEMBL29613569 | 0.77 | SETD7 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109476653-A | The heteroaromatic regulator of retinoids related orphan receptor y | 利奥制药有限公司 | 2019-03-15 | — | — | CN | claimed |
| CN-109476653-A | The heteroaromatic regulator of retinoids related orphan receptor y | 利奥制药有限公司 | 2019-03-15 | — | — | CN | disclosed |