⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18673547 | 0.72 | — | — | |
| SCHEMBL457053 | 0.70 | — | — | |
| SCHEMBL13552010 | 0.68 | — | — | |
| SCHEMBL317238 | 0.67 | — | — | |
| Acrylamide SCHEMBL31414589 | 0.67 | — | — | |
| SCHEMBL527599 | 0.67 | — | — | |
| SCHEMBL733704 | 0.64 | — | — | |
| SCHEMBL1478867 | 0.64 | — | — | |
| SCHEMBL4146210 | 0.64 | — | — | |
| SCHEMBL16211193 | 0.64 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022261068-A1 | METHODS AND TREATMENT OF VIRAL INFECTION WITH SUBSTITUTED FURO-PYRIMIDINES | Verge Analytics, Inc. (US) | 2022-12-15 | — | — | WO | disclosed |
| WO-2017144995-A1 | PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES AS JAK-INHIBITORS | PFIZER INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| US-20130023498-A1 | MicroRNA Modulators and Method for Identifying and Using the Same | The Wistar Institute and North Carolina State University | 2013-01-24 | — | — | US | disclosed |
| CN-101365681-B | Iminopropene compound and use thereof | SUMITOMO CHEMICAL CO | 2013-01-02 | — | — | CN | disclosed |
| CN-1964970-B | Inhibitors of iap | NOVARTIS AG | 2011-08-03 | — | — | CN | disclosed |
| CN-101365681-A | Iminopropene compound and use thereof | SUMITOMO CHEMICAL CO (JP) | 2009-02-11 | — | — | CN | disclosed |
| CN-1964970-A | Inhibitors of IAP | NOVARTIS AG (CH) | 2007-05-16 | — | — | CN | disclosed |