⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22626479 | 1.00 | EPHX1 (0.44) | — | |
| SCHEMBL7994641 | 0.83 | — | — | |
| SCHEMBL22135545 | 0.83 | — | — | |
| SCHEMBL8479590 | 0.77 | EPHX1 (0.41) | — | |
| SCHEMBL23137337 | 0.73 | EPHX1 (0.42) | — | |
| SCHEMBL22570753 | 0.73 | EPHX1 (0.48) | — | |
| SCHEMBL3870816 | 0.73 | EPHX1 (0.42) | — | |
| SCHEMBL2139173 | 0.73 | EPHX1 (0.48) | — | |
| SCHEMBL3667003 | 0.73 | EPHX1 (0.48) | — | |
| SCHEMBL23744997 | 0.73 | EPHX1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3546488-A1 | POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC BODY, POLARIZATION PLATE, DISPLAY DEVICE AND ANTIREFLECTION FILM | Zeon Corporation (JP) | 2019-10-02 | — | — | EP | disclosed |
| EP-1497268-A4 | NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2006-01-18 | — | — | EP | disclosed |
| EP-1497268-A2 | NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| US-20030203915-A1 | Nitric oxide donors, compositions and methods of use related applications | NICOX S.A. (FR) | 2003-10-30 | — | — | US | disclosed |
| WO-2003086282-A2 | NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2003-10-23 | — | — | WO | disclosed |