⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7169238 | 1.00 | — | — | |
| Benzene SCHEMBL28204898 | 0.94 | HCAR2 (0.55) | — | |
| SCHEMBL28915231 | 0.92 | HCAR2 (0.64) | — | |
| SCHEMBL6000733 | 0.91 | HCAR2 (0.52) | — | |
| SCHEMBL29638093 | 0.91 | HCAR2 (0.52) | — | |
| SCHEMBL6000731 | 0.91 | HCAR2 (0.52) | — | |
| Diethyl Maleate SCHEMBL4453231 | 0.86 | HCAR2 (0.67) | — | |
| Diethyl Maleate SCHEMBL4453230 | 0.86 | HCAR2 (0.67) | — | |
| SCHEMBL2949604 | 0.85 | HCAR2 (0.65) | — | |
| SCHEMBL820970 | 0.85 | HCAR2 (0.65) | — |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117810530-A | In-situ polymerization high-voltage-resistant semi-solid electrolyte, preparation method thereof and lithium metal semi-solid battery | 四川启睿克科技有限公司 | 2024-04-02 | — | — | CN | claimed |
| CN-117154213-A | Viscoelastic conductive polymer electrolyte, preparation method thereof and lithium metal semi-solid battery | 四川启睿克科技有限公司 | 2023-12-01 | — | — | CN | claimed |
| CN-108840818-B | Synthesis and application of colorimetric carbazole fluorescent probe for detecting hydrogen sulfide | 山西大学 | 2021-09-28 | — | — | CN | claimed |
| CN-117154213-A | Viscoelastic conductive polymer electrolyte, preparation method thereof and lithium metal semi-solid battery | 四川启睿克科技有限公司 | 2023-12-01 | — | — | CN | disclosed |
| US-20230287464-A1 | MICROORGANISMS AND METHODS FOR THE PRODUCTION OF BUTADIENE USING ACETYL-COA | GENOMATICA INC (US) | 2023-09-14 | — | — | US | disclosed |
| US-11371063-B2 | Microorganisms and methods for the production of butadiene using acetyl-coA | GENOMATICA, INC. (US) | 2022-06-28 | — | — | US | disclosed |
| US-20200385763-A1 | MICROORGANISMS AND METHODS FOR PRODUCING 2,4-PENTADIENOATE, BUTADIENE, PROPYLENE, 1,3-BUTANEDIOL AND RELATED ALCOHOLS | GENOMATICA INC (US) | 2020-12-10 | — | — | US | disclosed |
| US-20200354753-A1 | MICROORGANISMS AND METHODS FOR THE PRODUCTION OF BUTADIENE USING ACETYL-COA | AGAIN BIO APS (DK) | 2020-11-12 | — | — | US | disclosed |
| EP-2744906-B1 | MICROORGANISMS AND METHODS FOR PRODUCING 2,4-PENTADIENOATE, BUTADIENE, PROPYLENE, 1,3-BUTANEDIOL AND RELATED ALCOHOLS | GENOMATICA INC (US) | 2019-05-22 | — | — | EP | disclosed |
| US-20170191085-A1 | MICROORGANISMS AND METHODS FOR THE PRODUCTION OF BUTADIENE USING ACETYL-COA | GENOMATICA, INC. (US) | 2017-07-06 | — | — | US | disclosed |
| EP-3167066-A1 | MICROORGANISMS AND METHODS FOR THE PRODUCTION OF BUTADIENE USING ACETYL-COA | Genomatica, Inc. (US) | 2017-05-17 | — | — | EP | disclosed |
| US-5917074-A | Preparation and applications of fluorinated propargyl phosphonate reagents | UNIVERSITY OF MASSACHUSETTS (US) | 1999-06-29 | — | — | US | disclosed |
| WO-1999018138-A1 | PREPARATION AND APPLICATIONS OF FLUORINATED PROPARGYL PHOSPHONATE REAGENTS | UNIVERSITY OF MASSACHUSETTS (US) | 1999-04-15 | — | — | WO | disclosed |
| WO-1997031901-A1 | HYDROXYHEXAHYDROPYRIDAZINES | BOLS MIKAEL (DK) | 1997-09-04 | — | — | WO | disclosed |
| EP-0728742-A2 | Novel retinoids | F. HOFFMANN-LA ROCHE AG (CH) | 1996-08-28 | — | — | EP | disclosed |
| EP-0707566-A1 | NOVEL STRUCTURAL ANALOGUES OF VITAMIN D | LABORATOIRE THERAMEX S.A. (MC) | 1996-04-24 | — | — | EP | disclosed |
| US-5502075-A | Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-03-26 | — | — | US | disclosed |
| WO-1995001960-A1 | NOVEL STRUCTURAL ANALOGUES OF VITAMIN D | LABORATOIRE THERAMEX S.A. (MC) | 1995-01-19 | — | — | WO | disclosed |
| CN-1016868-B | Process for preparing 5-aralkyl-4-alkoxy-2 (5H) -furanone | SCHWABE WILLMAR GMBH & CO (DE) | 1992-06-03 | — | — | CN | disclosed |
| US-4236023-A | Preparation of unsaturated monoesters by the catalytic oxidative carbonylation of diolefins with an enol ether or 1-alkoxycycloalkene | ATLANTIC RICHFIELD COMPANY (US) | 1980-11-25 | — | — | US | disclosed |