⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4783925 | 0.92 | EPHX1 (0.35) | — | |
| SCHEMBL28746198 | 0.92 | EPHX1 (0.35) | — | |
| SCHEMBL4783920 | 0.92 | EPHX1 (0.35) | — | |
| SCHEMBL8469132 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL9354204 | 0.80 | — | — | |
| SCHEMBL9354753 | 0.80 | — | — | |
| SCHEMBL9358711 | 0.78 | — | — | |
| SCHEMBL1061015 | 0.78 | KMT2A (0.33) | — | |
| SCHEMBL8228718 | 0.78 | CYP19A1 (0.31) | — | |
| SCHEMBL8422219 | 0.78 | CHRM2 (0.39) | — |
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-3148975-A1 | NOVEL COMPOUNDS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015180612-A1 | NOVEL COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2015-12-03 | — | — | WO | disclosed |
| CN-104945309-A | Novel nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS INC | 2015-09-30 | — | — | CN | disclosed |
| CN-102076342-B | Novel nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS INC | 2015-06-10 | — | — | CN | disclosed |
| CN-102076342-A | Novel nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS INC | 2011-05-25 | — | — | CN | disclosed |
| WO-2004019346-A1 | LAYER CONFIGURATION COMPRISING AN ELECTRON-BLOCKING ELEMENT | AGFA-GEVAERT (BE) | 2004-03-04 | — | — | WO | disclosed |