⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17847962 | 0.85 | ADCY10 (0.31) | — | |
| SCHEMBL17848008 | 0.72 | HASPIN (0.34) | — | |
| SCHEMBL17846094 | 0.69 | MAPK1 (0.30) | — | |
| SCHEMBL17846105 | 0.68 | NOS1 (0.30) | — | |
| SCHEMBL21823711 | 0.68 | CA12 (0.32) | — | |
| SCHEMBL24738838 | 0.67 | — | — | |
| SCHEMBL3407078 | 0.67 | USP14 (0.32) | — | |
| SCHEMBL18981834 | 0.65 | — | — | |
| SCHEMBL31210922 | 0.65 | — | — | |
| SCHEMBL31210939 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233858-B1 | ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-30 | — | — | EP | disclosed |
| US-9884048-B2 | ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-02-06 | — | — | US | disclosed |
| EP-3233858-A1 | ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-10-25 | — | — | EP | disclosed |
| US-20170266167-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-09-21 | — | — | US | disclosed |
| WO-2016100050-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |