⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3506973 | 0.77 | OPRM1 (0.38) | — | |
| SCHEMBL15032475 | 0.77 | NAAA (0.39) | — | |
| SCHEMBL14726723 | 0.71 | LMNA (0.35) | — | |
| SCHEMBL7908107 | 0.70 | CRBN (0.32) | — | |
| SCHEMBL14300062 | 0.70 | — | — | |
| SCHEMBL12425928 | 0.68 | TRPA1 (0.42) | — | |
| SCHEMBL8293595 | 0.68 | MEN1 (0.43) | — | |
| SCHEMBL13366457 | 0.66 | NPC1 (0.33) | — | |
| SCHEMBL29860057 | 0.66 | PREP (0.33) | — | |
| SCHEMBL7258421 | 0.63 | PREP (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2231143-B1 | 5H-pyrido[4,3-b]indoles as INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME (US) | 2013-07-03 | — | — | EP | disclosed |
| US-8431569-B2 | Inhibitors of janus kinases | MERCK SHARP & DOHME CORP. (US) | 2013-04-30 | — | — | US | disclosed |