⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14860878 | 1.00 | — | — | |
| SCHEMBL14860874 | 0.93 | — | — | |
| SCHEMBL14860875 | 0.93 | — | — | |
| SCHEMBL9986477 | 0.86 | — | — | |
| SCHEMBL12074672 | 0.83 | — | — | |
| SCHEMBL14859493 | 0.83 | — | — | |
| SCHEMBL14859494 | 0.83 | — | — | |
| SCHEMBL12073782 | 0.83 | — | — | |
| SCHEMBL9984584 | 0.81 | — | — | |
| SCHEMBL14859572 | 0.81 | — | — |
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-2584903-B1 | NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2018-10-24 | — | — | EP | disclosed |
| US-8999957-B2 | Heterocyclic compounds as ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-04-07 | — | — | US | disclosed |
| US-20130096084-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS | MERCK SHARP & DOHME LLC | 2013-04-18 | — | — | US | disclosed |