⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL241252 | 0.83 | MEN1 (0.41) | — | |
| SCHEMBL5253528 | 0.79 | DNM1 (0.50) | — | |
| SCHEMBL2715609 | 0.79 | CA1 (0.48) | — | |
| SCHEMBL4886131 | 0.77 | — | — | |
| SCHEMBL245242 | 0.75 | — | — | |
| SCHEMBL8172225 | 0.74 | — | — | |
| SCHEMBL41726 | 0.74 | — | — | |
| SCHEMBL18083196 | 0.74 | CA1 (0.50) | — | |
| SCHEMBL4886129 | 0.74 | — | — | |
| SCHEMBL41725 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160130230-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-05-12 | — | — | US | disclosed |
| US-9187428-B2 | Substituted dicyanopyridines and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-11-17 | — | — | US | disclosed |
| US-20130210795-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-08-15 | — | — | US | disclosed |
| EP-2588454-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012000945-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-05 | — | — | WO | disclosed |