⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9009838 | 0.78 | RIPK1 (0.40) | — | |
| SCHEMBL3670632 | 0.77 | — | — | |
| SCHEMBL12319697 | 0.77 | — | — | |
| SCHEMBL13465083 | 0.77 | — | — | |
| SCHEMBL12319870 | 0.74 | — | — | |
| SCHEMBL12140422 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL16777368 | 0.70 | — | — | |
| SCHEMBL23516124 | 0.70 | — | — | |
| SCHEMBL3593680 | 0.69 | HTT (0.32) | — | |
| SCHEMBL669083 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104203950-B | Liver x receptor modulators | 生命医药公司 | 2016-08-24 | — | — | CN | disclosed |