⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1673784 | 0.88 | CNR2 (0.35) | — | |
| SCHEMBL1673907 | 0.73 | SIRT2 (0.38) | — | |
| SCHEMBL31586679 | 0.64 | HDAC8 (0.38) | — | |
| SCHEMBL31118779 | 0.62 | PTGER4 (0.35) | — | |
| SCHEMBL22337751 | 0.61 | KEAP1 (0.39) | — | |
| SCHEMBL38655915 | 0.60 | NPC1 (0.32) | — | |
| SCHEMBL17326272 | 0.60 | TRPA1 (0.33) | — | |
| SCHEMBL26445841 | 0.59 | NAMPT (0.45) | — | |
| SCHEMBL20985958 | 0.58 | KDM4E (0.44) | — | |
| SCHEMBL26449157 | 0.58 | AR (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2299816-B1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME (US) | 2013-11-13 | — | — | EP | disclosed |