⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11278418 | 0.80 | MAPT (0.45) | — | |
| SCHEMBL13980918 | 0.80 | MAPT (0.45) | — | |
| SCHEMBL3910058 | 0.80 | — | — | |
| SCHEMBL3629050 | 0.78 | TSHR (0.56) | — | |
| SCHEMBL8638108 | 0.77 | — | — | |
| SCHEMBL2309685 | 0.74 | — | — | |
| SCHEMBL31275254 | 0.74 | — | — | |
| SCHEMBL31275614 | 0.74 | — | — | |
| Acrylic Acid SCHEMBL27777967 | 0.74 | LMNA (0.50) | — | |
| SCHEMBL6557587 | 0.73 | ALDH1A1 (0.50) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117918509-A | Method for releasing large amount of sweet volatile matters from pomace by ferric salt | 北京农学院 | 2024-04-26 | — | — | CN | disclosed |
| US-20130034884-A1 | MICROORGANISMS FOR PRODUCING 1,4-BUTANEDIOL AND METHODS RELATED THERETO | GENOMATICA, INC. (US) | 2013-02-07 | — | — | US | disclosed |
| US-7695863-B2 | rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive | UBE INDUSTRIES, LTD. (JP) | 2010-04-13 | — | — | US | disclosed |
| US-20090207712-A1 | OPTICAL RECORDING MEDIUM AND METHOD OF RECORDING VISIBLE INFORMATION | FUJIFILM CORPORATION (JP) | 2009-08-20 | — | — | US | disclosed |
| US-7416683-B2 | Liquid crystal mixed composition and retardation film using same | NIPPON KAYKU KABUSHIKI KAISHA (JP) | 2008-08-26 | — | — | US | disclosed |
| US-20080102377-A1 | rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive | UBE INDUSTRIES, LTD (JP) | 2008-05-01 | — | — | US | disclosed |
| CN-100345898-C | Liquid crystal compound composition and retardation film using same | NIPPON KAYAKU KK (JP) | 2007-10-31 | — | — | CN | disclosed |
| US-20060060821-A1 | Liquid crystal compound composition and retardation film using same | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2006-03-23 | — | — | US | disclosed |
| CN-1732218-A | Liquid crystal composition and retardation film produced using the same | NIPPON KAYAKU KK (JP) | 2006-02-08 | — | — | CN | disclosed |
| EP-1559745-A1 | LIQUID CRYSTAL COMPOUND COMPOSITION AND RETARDATION FILM USING SAME | Nippon Kayaku Kabushiki Kaisha (JP) | 2005-08-03 | — | — | EP | disclosed |
| US-4769485-A | Preparation of alkenoyl isocyanates | NIPPON PAINT CO., LTD. (JP) | 1988-09-06 | — | — | US | disclosed |