⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29230356 | 0.82 | — | — | |
| Azetidine SCHEMBL15476648 | 0.80 | — | — | |
| SCHEMBL27207 | 0.78 | — | — | |
| SCHEMBL14698201 | 0.78 | — | — | |
| Tetrahydrothiophene SCHEMBL15008099 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL29232850 | 0.72 | — | — | |
| Water SCHEMBL28790048 | 0.72 | — | — | |
| SCHEMBL19712057 | 0.72 | — | — | |
| SCHEMBL29198913 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL8336428 | 0.72 | — | — |
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 8 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 |
| EP-3525786-A1 | KDM5 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2019-08-21 | — | — | EP | disclosed |
| EP-3233859-B1 | BRIDGED PYRAZOLOPYRIDINE DERIVATIVES AS ERK INHIBITORS USEFUL FOR THE TREATEMENT OF CANCER | MERCK SHARP & DOHME (US) | 2019-08-07 | — | — | EP | disclosed |
| WO-2018071282-A1 | KDM5 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |
| EP-3233858-A1 | ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-10-25 | — | — | EP | disclosed |
| EP-3233859-A1 | ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016100051-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |
| WO-2016100050-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |