⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11659746 | 0.72 | — | — | |
| SCHEMBL7198764 | 0.72 | — | — | |
| SCHEMBL21755878 | 0.69 | — | — | |
| SCHEMBL3349365 | 0.69 | — | — | |
| SCHEMBL5188529 | 0.67 | — | — | |
| SCHEMBL15800723 | 0.67 | — | — | |
| SCHEMBL6832062 | 0.67 | — | — | |
| SCHEMBL21953247 | 0.65 | — | — | |
| SCHEMBL21755877 | 0.65 | — | — | |
| SCHEMBL12158265 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2758377-B1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-08-02 | — | — | EP | disclosed |
| US-20100041891-A1 | AMIDE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-02-18 | — | — | US | disclosed |
| US-7592358-B2 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-22 | — | — | US | disclosed |