⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL259723 | 0.81 | — | — | |
| SCHEMBL25528158 | 0.75 | — | — | |
| SCHEMBL13884662 | 0.74 | — | — | |
| SCHEMBL14134960 | 0.74 | — | — | |
| SCHEMBL19085617 | 0.74 | — | — | |
| SCHEMBL12073718 | 0.70 | — | — | |
| SCHEMBL2455294 | 0.70 | — | — | |
| SCHEMBL28633047 | 0.70 | — | — | |
| SCHEMBL19433170 | 0.70 | — | — | |
| SCHEMBL12072827 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8314141-B2 | Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-11-20 | — | — | US | disclosed |
| US-8133891-B2 | Tricyclic anilide spirolactam CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-03-13 | — | — | US | disclosed |
| US-20100160334-A1 | TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | disclosed |