⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9959183 | 0.91 | — | — | |
| SCHEMBL15284313 | 0.86 | — | — | |
| SCHEMBL15284510 | 0.85 | — | — | |
| SCHEMBL15284511 | 0.85 | — | — | |
| SCHEMBL15284509 | 0.85 | — | — | |
| Bicarbonate SCHEMBL17937986 | 0.81 | — | — | |
| SCHEMBL15283985 | 0.80 | MAPK1 (0.49) | — | |
| Bicarbonate SCHEMBL17937983 | 0.79 | — | — | |
| SCHEMBL15284605 | 0.79 | — | — | |
| SCHEMBL15284608 | 0.79 | — | — |
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 11 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 | claimed |
| US-20140309234-A1 | SMALL MOLECULE ANTI-FIBROTIC COMPOUNDS AND USES THEREOF | ANGION BIOMEDICA CORP (US) | 2014-10-16 | — | — | US | claimed |
| US-20130261125-A1 | INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS | MERCK SHARP & DOHME LLC | 2013-10-03 | — | — | US | claimed |
| 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 |
| US-9351965-B2 | Indazole derivatives useful as ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-05-31 | — | — | US | disclosed |
| US-20140309234-A1 | SMALL MOLECULE ANTI-FIBROTIC COMPOUNDS AND USES THEREOF | ANGION BIOMEDICA CORP (US) | 2014-10-16 | — | — | US | disclosed |
| EP-2654748-A1 | INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-10-30 | — | — | EP | disclosed |
| US-20130261125-A1 | INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS | MERCK SHARP & DOHME LLC | 2013-10-03 | — | — | US | disclosed |
| US-20130261125-A1 | INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS | MERCK SHARP & DOHME LLC | 2013-10-03 | — | — | US | disclosed |
| WO-2012087772-A1 | INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-06-28 | — | — | WO | disclosed |