⚠ 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 | |
|---|---|---|---|---|
| Propionaldehyde SCHEMBL28357120 | 0.79 | TDP1 (0.47) | — | |
| SCHEMBL25403796 | 0.79 | — | — | |
| SCHEMBL13014510 | 0.78 | GABRR1 (0.38) | — | |
| Acetaldehyde SCHEMBL11854823 | 0.78 | CYP2C19 (0.50) | — | |
| SCHEMBL11308531 | 0.77 | — | — | |
| SCHEMBL28782770 | 0.77 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL3244513 | 0.77 | TSHR (0.34) | — | |
| SCHEMBL36990 | 0.76 | CYP2C19 (0.59) | — | |
| SCHEMBL10834211 | 0.76 | CYP2C19 (0.59) | — | |
| SCHEMBL10354927 | 0.75 | CA1 (0.46) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012081507-A1 | PHOTOSENSITIVE NEGATIVE RESIN COMPOSITION | CANON KABUSHIKI KAISHA (JP) | 2012-06-21 | — | — | WO | disclosed |
| US-20100240758-A1 | EXTERNAL PREPARATION FOR PERCUTANEOUS ADMINISTRATION CONTAINING NONSTEROIDAL ANTI-INFLAMMATORY ANALGESIC | HISAMITSU PHARMACEUTICAL CO., INC. (JP) | 2010-09-23 | — | — | US | disclosed |
| US-20080317689-A1 | Transdermal Preparation for External Use Containing Antiinflammatory/Analgesic Agent | HISAMITSU PHARMACEUTICAL CO., INC. (JP) | 2008-12-25 | — | — | US | disclosed |
| US-20070148216-A1 | External preparation for percutaneous administration containing nonsteroidal anti-inflammatory analgesic | HISAMITSU PHARMACEUTICAL CO., INC. (JP) | 2007-06-28 | — | — | US | disclosed |
| EP-1019413-B1 | METALLATION OF MACROCYCLES WITH 2,4-DICARBONYL-METAL COMPLEXES | PHARMACYCLICS INC (US) | 2003-05-14 | — | — | EP | disclosed |
| EP-1019413-A1 | METALLATION OF MACROCYCLES WITH 2,4-DICARBONYL-METAL COMPLEXES | PHARMACYCLICS, INC. (US) | 2000-07-19 | — | — | EP | disclosed |
| US-5886173-A | REACTING METAL SALT WITH 2,4-DICARBONYL COMPOUND TO FORM COMPLEX, REACTING COMPLEX WITH PORPHYRIN | PHARMACYCLICS, INC. (US) | 1999-03-23 | — | — | US | disclosed |
| WO-1999006411-A1 | METALLATION OF MACROCYCLES WITH 2,4-DICARBONYL-METAL COMPLEXES | PHARMACYCLICS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |
| WO-1997017379-A1 | POLYMERIZATION CATALYSTS | BOREALIS A/S (DK) | 1997-05-15 | — | — | WO | disclosed |
| US-4288440-A | Pyridinones | THE UPJOHN COMPANY (US) | 1981-09-08 | — | — | US | disclosed |