⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1911100 | 1.00 | — | — | |
| SCHEMBL12438303 | 1.00 | — | — | |
| SCHEMBL25676498 | 0.83 | — | — | |
| SCHEMBL10713744 | 0.83 | — | — | |
| SCHEMBL16384101 | 0.79 | LMNA (0.32) | — | |
| SCHEMBL26242367 | 0.79 | LMNA (0.32) | — | |
| SCHEMBL6177181 | 0.78 | — | — | |
| SCHEMBL9153895 | 0.77 | — | — | |
| SCHEMBL17850558 | 0.76 | LMNA (0.38) | — | |
| SCHEMBL10147198 | 0.75 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11780835-B2 | Pyrazolo[3,4-b]pyridine compounds as inhibitors of TAM and MET kinases | ARRAY BIOPHARMA INC. (US) | 2023-10-10 | — | — | US | disclosed |
| US-20180155340-A1 | QUINOLONE DERIVATIVES AS FGFR INHIBITORS | PRINCIPIA BIOPHARMA INC. | 2018-06-07 | — | — | US | disclosed |
| WO-2016191172-A1 | QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2016-12-01 | — | — | WO | disclosed |
| EP-2132167-B1 | METHOD FOR THE PRODUCTION OF beta-KETONITRILES | BASF SE (DE) | 2013-12-25 | — | — | EP | disclosed |
| US-8501748-B2 | Method for the production of β-ketonitriles | BASF SE (DE) | 2013-08-06 | — | — | US | disclosed |
| US-20130005970-A1 | Method for the production of beta-ketonitriles | BASF SE (DE) | 2013-01-03 | — | — | US | disclosed |
| US-8309751-B2 | Method for the production of β-ketonitriles | BASF SE (DE) | 2012-11-13 | — | — | US | disclosed |
| US-20110269958-A1 | PYRIDONS AS PDK1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-03 | — | — | US | disclosed |
| US-20100105903-A1 | Method for the production of beta-ketonitriles | BASF SE (DE) | 2010-04-29 | — | — | US | disclosed |
| EP-2132167-A1 | METHOD FOR THE PRODUCTION OF -KETONITRILES | BASF SE (DE) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008107397-A1 | METHOD FOR THE PRODUCTION OF β-KETONITRILES | BASF SE (DE) | 2008-09-12 | — | — | WO | disclosed |