⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19546511 | 0.84 | — | — | |
| SCHEMBL24233708 | 0.67 | — | — | |
| SCHEMBL31435714 | 0.63 | — | — | |
| SCHEMBL19546513 | 0.61 | — | — | |
| SCHEMBL14896589 | 0.61 | — | — | |
| SCHEMBL13780181 | 0.60 | — | — | |
| SCHEMBL24221555 | 0.60 | — | — | |
| SCHEMBL14853561 | 0.60 | — | — | |
| SCHEMBL18509179 | 0.58 | — | — | |
| SCHEMBL14567145 | 0.58 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2654748-B1 | INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2016-07-27 | — | — | EP | disclosed |
| US-9351965-B2 | Indazole derivatives useful as ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-05-31 | — | — | US | disclosed |
| EP-2752410-A1 | HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY | Shionogi & Co., Ltd. (JP) | 2014-07-09 | — | — | EP | disclosed |
| US-20130261125-A1 | INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS | MERCK SHARP & DOHME LLC | 2013-10-03 | — | — | US | disclosed |