⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4421224 | 1.00 | — | — | |
| SCHEMBL2350488 | 0.94 | L3MBTL1 (0.44) | — | |
| SCHEMBL28962210 | 0.82 | POLB (0.48) | — | |
| SCHEMBL28962209 | 0.82 | POLB (0.48) | — | |
| SCHEMBL28962211 | 0.82 | POLB (0.48) | — | |
| SCHEMBL24667751 | 0.78 | — | — | |
| SCHEMBL28657854 | 0.78 | — | — | |
| SCHEMBL2346034 | 0.78 | AKR1C3 (0.35) | — | |
| SCHEMBL19746985 | 0.74 | POLB (0.41) | — | |
| SCHEMBL2344726 | 0.72 | KMT2A (0.38) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015109017-A2 | DEUTERATED NO-RELEASING NONOATE(OXYGEN-BOUND)CHROMENE CONJUGATES | Euclises Pharmaceuticals, Inc. (US) | 2015-07-23 | — | — | WO | disclosed |
| WO-2015108835-A1 | 3,3-DISUBSTITUTED-1-HYDROXYTRIAZ-1-ENE 2-OXIDES AND WOUND-HEALING COMPOSITIONS USING THEM | SARMONT LLC (US) | 2015-07-23 | — | — | WO | disclosed |
| WO-2015109014-A1 | NO-RELEASING NONOATE(OXYGEN-BOUND)CHROMENE CONJUGATES | Euclises Pharmaceuticals, Inc. (US) | 2015-07-23 | — | — | WO | disclosed |
| WO-2014012074-A2 | NO-RELEASING NONOATE (NITROGEN-BOUND) SULFONAMIDE-LINKED-COXIB ANTI-CANCER AGENTS | Euclises Pharmaceuticals, Inc. (US) | 2014-01-16 | — | — | WO | disclosed |
| US-7282519-B2 | Nitrosated and nitrosylated diuretic compounds, compositions and methods of use | NITROMED, INC. (US) | 2007-10-16 | — | — | US | disclosed |
| US-7282519-B2 | Nitrosated and nitrosylated diuretic compounds, compositions and methods of use | NITROMED, INC. (US) | 2007-10-16 | — | — | US | disclosed |
| US-7282519-B2 | Nitrosated and nitrosylated diuretic compounds, compositions and methods of use | NITROMED, INC. (US) | 2007-10-16 | — | — | US | disclosed |
| WO-2005023183-A2 | NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2005-03-17 | — | — | WO | disclosed |
| US-20050059655-A1 | Nitrosated and nitrosylated diuretic compounds, compositions and methods of use | NITROMED, INC. (US) | 2005-03-17 | — | — | US | disclosed |