⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21393326 | 0.81 | — | — | |
| SCHEMBL19059421 | 0.76 | RECQL (0.33) | — | |
| SCHEMBL23175529 | 0.75 | HRH4 (0.34) | — | |
| SCHEMBL3796925 | 0.72 | — | — | |
| SCHEMBL12705 | 0.72 | — | — | |
| SCHEMBL23175526 | 0.72 | NR2F2 (0.38) | — | |
| SCHEMBL27905166 | 0.71 | — | — | |
| SCHEMBL668565 | 0.71 | — | — | |
| SCHEMBL13853947 | 0.70 | — | — | |
| SCHEMBL21872264 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210094950-A1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | NATIONAL INSTITUTES OF HEALTH | 2021-04-01 | — | — | US | disclosed |
| WO-2019183245-A1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2019-09-26 | — | — | WO | disclosed |
| US-20120202776-A1 | PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS | ARIAD PHARMACEUTICALS, INC. (US) | 2012-08-09 | — | — | US | disclosed |
| US-8129415-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2012-03-06 | — | — | US | disclosed |
| US-20110288078-A1 | PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS | ARIAD PHARMACEUTICALS, INC. (US) | 2011-11-24 | — | — | US | disclosed |
| US-20090192196-A1 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2009-07-30 | — | — | US | disclosed |