⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2700038 | 0.89 | LMNA (0.44) | — | |
| SCHEMBL26832966 | 0.89 | LMNA (0.44) | — | |
| SCHEMBL23977846 | 0.89 | LMNA (0.44) | — | |
| SCHEMBL12448236 | 0.87 | MEN1 (0.40) | — | |
| Fluoride SCHEMBL27904157 | 0.83 | — | — | |
| SCHEMBL23592553 | 0.81 | HRH3 (0.33) | — | |
| SCHEMBL8350782 | 0.80 | EPHX1 (0.32) | — | |
| SCHEMBL39030 | 0.80 | — | — | |
| SCHEMBL2556581 | 0.80 | — | — | |
| SCHEMBL3975311 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9226922-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-01-05 | — | — | US | disclosed |
| US-20150258074-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-17 | — | — | US | disclosed |