⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11584389 | 0.74 | — | — | |
| SCHEMBL8379435 | 0.70 | — | — | |
| SCHEMBL222860 | 0.70 | — | — | |
| SCHEMBL6835923 | 0.69 | MAPT (0.35) | — | |
| SCHEMBL22728351 | 0.67 | — | — | |
| SCHEMBL411262 | 0.65 | F2 (0.40) | — | |
| SCHEMBL237914 | 0.65 | GAA (0.44) | — | |
| SCHEMBL4903842 | 0.65 | GAA (0.33) | — | |
| SCHEMBL7106786 | 0.64 | KDM4E (0.32) | — | |
| SCHEMBL13864166 | 0.64 | MAPT (0.43) | — |
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-105873439-A | Alkyl-linked quinolinyl modulators of ROR γ t | 詹森药业有限公司 | 2016-08-17 | — | — | CN | disclosed |