⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27970973 | 0.87 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL12658989 | 0.86 | NCF1 (0.36) | — | |
| SCHEMBL9947429 | 0.80 | — | — | |
| SCHEMBL9947428 | 0.76 | NCF1 (0.32) | — | |
| SCHEMBL5627587 | 0.73 | — | — | |
| SCHEMBL9918129 | 0.72 | — | — | |
| SCHEMBL2037808 | 0.68 | — | — | |
| SCHEMBL30674690 | 0.68 | HTT (0.30) | — | |
| SCHEMBL2041877 | 0.68 | — | — | |
| SCHEMBL2037623 | 0.68 | — | — |
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 6 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-2900223-B1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2013052803-A2 | METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS | RADIORX, INC. (US) | 2013-04-11 | — | — | WO | disclosed |
| WO-2012078992-A1 | ORGANONITRO COMPOUNDS FOR USE IN TREATING NON-HODGKIN'S LYMPHOMA AND LEUKEMIA, AND METHODS RELATING THERETO | RADIORX, INC. (US) | 2012-06-14 | — | — | WO | disclosed |
| US-7166615-B2 | Substituted indolinones, preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-01-23 | — | — | US | disclosed |
| US-7160901-B2 | Substituted indolinones, preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-01-09 | — | — | US | disclosed |