⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2143464 | 1.00 | — | — | |
| SCHEMBL6060607 | 1.00 | — | — | |
| SCHEMBL10456883 | 1.00 | — | — | |
| SCHEMBL53946 | 1.00 | — | — | |
| SCHEMBL10489172 | 1.00 | — | — | |
| SCHEMBL1168 | 1.00 | — | — | |
| SCHEMBL2143465 | 1.00 | — | — | |
| SCHEMBL18916 | 1.00 | — | — | |
| Water SCHEMBL23524663 | 0.91 | — | — | |
| Methane SCHEMBL15817887 | 0.91 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106467449-B | Method for preparing isobutene | 中国石油化工股份有限公司 | 2020-05-12 | — | — | CN | disclosed |
| CN-106467450-B | Method for preparing isobutene | 中国石油化工股份有限公司 | 2020-05-12 | — | — | CN | disclosed |
| US-8003840-B2 | Bismuth molybdate-based catalysts, method of preparing thereof and method of preparing 1,3-butadiene using thereof | SK INNOVATION CO., LTD. (KR) | 2011-08-23 | — | — | US | disclosed |
| US-20110004041-A1 | METHOD OF PRODUCING 1,3-BUTADIENE FROM N-BUTENE USING CONTINUOUS-FLOW DUAL-BED REACTOR | SK ENERGY CO., LTD. (KR) | 2011-01-06 | — | — | US | disclosed |
| US-6777582-B2 | CATALYZING THE METATHESIS REACTION IN A CHEMICAL REACTOR BY FEEDING 1-BUTENE AND 2-BUTENE, CIRCULATING BY-PRODUCT 2-PENTENE TO FORM 3-HEXENE, ISOMERIZATION TO 1-HEXENE | ABB LUMMUS GLOBAL INC. | 2004-08-17 | — | — | US | disclosed |
| US-20030176754-A1 | Process for producing propylene and hexene from C4 olefin streams | ABB LUMMUS GLOBAL INC. | 2003-09-18 | — | — | US | disclosed |