⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6656176 | 0.89 | — | — | |
| SCHEMBL28590844 | 0.87 | — | — | |
| SCHEMBL21658796 | 0.87 | — | — | |
| SCHEMBL28258632 | 0.87 | — | — | |
| SCHEMBL431622 | 0.87 | — | — | |
| SCHEMBL31596379 | 0.87 | — | — | |
| SCHEMBL7158648 | 0.87 | — | — | |
| SCHEMBL301519 | 0.87 | — | — | |
| SCHEMBL28721623 | 0.87 | — | — | |
| SCHEMBL31016003 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8410328-B2 | Method of preparing multicomponent bismuth molybdate catalysts comprising four metal components and method of preparing 1,3-butadiene using said catalysts | SK INNOVATION CO., LTD. (KR) | 2013-04-02 | — | — | US | disclosed |
| US-20100249482-A1 | METHOD OF PREPARING MULTICOMPONENT BISMUTH MOLYBDATE CATALYSTS COMPRISING FOUR METAL COMPONENTS AND METHOD OF PREPARING 1,3-BUTADIENE USING SAID CATALYSTS | IDEAS CORPORATION (KR) | 2010-09-30 | — | — | US | disclosed |
| CN-1060410-C | Acrylonitrile fluidized bed lithium containing catalyst | CHINA PETROCHEMICAL CORP (CN) | 2001-01-10 | — | — | CN | disclosed |
| CN-1172691-A | Acrylonitrile fluidized bed lithium containing catalyst | CHINA PETROCHEMICAL CORP (CN) | 1998-02-11 | — | — | CN | disclosed |
| US-5206201-A | Mixing raw materials; molding; drying; calcining | NIPPON SHOKUBAI CO., LTD. (JP) | 1993-04-27 | — | — | US | disclosed |
| US-5136104-A | Catalytic gas phase oxidation of a substituted toluene; high yield | NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) | 1992-08-04 | — | — | US | disclosed |
| EP-0226640-B1 | METHOD OF PRODUCING SUBSTITUTED BENZALDEHYDES | Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) | 1992-05-06 | — | — | EP | disclosed |
| EP-0459729-A1 | Catalyst for production of substituted benzaldehyde, method for production of the catalyst, and method for production of substituted benzaldehyde | NIPPON SHOKUBAI CO., LTD. (JP) | 1991-12-04 | — | — | EP | disclosed |
| EP-0226640-A1 | METHOD OF PRODUCING SUBSTITUTED BENZALDEHYDES | Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) | 1987-07-01 | — | — | EP | disclosed |