⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL250 | 0.55 | — | — | |
| SCHEMBL11498161 | 0.55 | — | — | |
| Butadiene SCHEMBL11480793 | 0.55 | TRPA1 (0.44) | — | |
| SCHEMBL192 | 0.55 | — | — | |
| SCHEMBL17164676 | 0.55 | — | — | |
| SCHEMBL3804487 | 0.55 | — | — | |
| Butadiene SCHEMBL10457929 | 0.55 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL11854764 | 0.55 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.55 | — | — | |
| Butadiene SCHEMBL23406461 | 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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118420616-A | Azabridged ring compound and preparation method thereof | 浙江工业大学 | 2024-08-02 | — | — | CN | disclosed |
| US-20240199671-A1 | NOVEL FERROCENE-BASED UNSYMMETRICAL LIGANDS BEARING BULKY DI(ADAMANTLY)PHOSPHINO MOTIF AND THEIR METAL CATALYSTS | SIGMA-ALDRICH CO. LLC | 2024-06-20 | — | — | US | disclosed |
| EP-4337325-A1 | PALLADIUM VINYL AND BUTADIENYL COMPOUNDS AS CHEMOTHERAPEUTIC AGENTS | Universita' Ca' Foscari Venezia (IT) | 2024-03-20 | — | — | EP | disclosed |
| EP-4313997-A1 | NOVEL FERROCENE-BASED UNSYMMETRICAL LIGANDS BEARING BULKY DI(ADAMANTLY)PHOSPHINO MOTIF AND THEIR METAL CATALYSTS | Sigma-Aldrich Co. LLC (US) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022238163-A1 | PALLADIUM VINYL AND BUTADIENYL COMPOUNDS AS CHEMOTHERAPEUTIC AGENTS | UNIVERSITÀ CA' FOSCARI VENEZIA (IT) | 2022-11-17 | — | — | WO | disclosed |
| CN-107353310-B | Compound and its preparation method and application | 北京华福工程有限公司 | 2019-12-03 | — | — | CN | disclosed |
| CN-107312044-B | Compound and method using acetylene trimerization benzene | 北京华福工程有限公司 | 2019-08-27 | — | — | CN | disclosed |
| CN-107353310-A | Compound and its preparation method and application | 北京华福工程有限公司 | 2017-11-17 | — | — | CN | disclosed |
| CN-107312044-A | Compound and the method using acetylene trimerization benzene | 北京华福工程有限公司 | 2017-11-03 | — | — | CN | disclosed |
| EP-2311788-A1 | Process for the carboxylation of aryl halides with palladium catalysts | Intitut Català d'Investigació Química (ICIQ) (ES) | 2011-04-20 | — | — | EP | disclosed |
| US-7816476-B2 | Polymerizable cyclopropyl acrylates | IVOCLAR VIVADENT AG (LI) | 2010-10-19 | — | — | US | disclosed |
| US-20080039625-A1 | Screening Methods | LAUTENS MARK | 2008-02-14 | — | — | US | disclosed |
| EP-1817283-A1 | 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF | Lautens, Mark (CA) | 2007-08-15 | — | — | EP | disclosed |
| US-20060178469-A1 | Polymerizable cyclopropyl acrylates | IVOCLAR VIVADENT AG | 2006-08-10 | — | — | US | disclosed |
| WO-2006047888-A1 | 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF | LAUTENS MARK (CA) | 2006-05-11 | — | — | WO | disclosed |
| US-5563263-A | EPOXIDATION CATALYSTS | HOECHST CELANESE CORPORATION (US) | 1996-10-08 | — | — | US | disclosed |
| WO-1996008311-A1 | D4-SYMMETRIC PORPHYRIN-BASED CATALYSTS, PROCESSES FOR PREPARING SAME, AND PROCESSES FOR USING SAME | HOECHST CELANESE CORPORATION (US) | 1996-03-21 | — | — | WO | disclosed |
| US-4175187-A | REACTING ETHYLENE, SUBSTITUTED ETHYLENE WITH A SECONDARY AMINE AND A PALLADIUM CATALYST | UNIVERSITY OF DELAWARE (US) | 1979-11-20 | — | — | US | disclosed |
| US-4026957-A | PALLADIUM SALT | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 1977-05-31 | — | — | US | disclosed |