⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6910163 | 0.80 | — | — | |
| SCHEMBL5478778 | 0.80 | — | — | |
| SCHEMBL4446324 | 0.78 | — | — | |
| SCHEMBL10126830 | 0.78 | — | — | |
| SCHEMBL7525488 | 0.78 | — | — | |
| SCHEMBL11680928 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL4792720 | 0.76 | — | — | |
| SCHEMBL9304739 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL28325145 | 0.76 | — | — | |
| SCHEMBL9356336 | 0.75 | CYP2C19 (0.43) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112174787-B | Preparation method of trans-2-methyl-2-butenal | 浙江凯普化工有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-112174787-A | Preparation method of trans-2-methyl-2-butenal | 浙江凯普化工有限公司 | 2021-01-05 | — | — | CN | claimed |
| EP-4103543-B1 | PROCESS FOR THE SYNTHESIS OF S-BEFLUBUTAMID USING ASYMMETRIC HYDROGENATION | CHEMINOVA AS (DK) | 2023-12-06 | — | — | EP | disclosed |
| CN-112174787-B | Preparation method of trans-2-methyl-2-butenal | 浙江凯普化工有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-112174787-B | Preparation method of trans-2-methyl-2-butenal | 浙江凯普化工有限公司 | 2023-06-23 | — | — | CN | disclosed |
| US-20230099631-A1 | PROCESS FOR THE SYNTHESIS OF S-BEFLUBUTAMID USING ASYMMETRIC HYDROGENATION | CHEMINOVA A/S (DK) | 2023-03-30 | — | — | US | disclosed |
| EP-4103543-A1 | PROCESS FOR THE SYNTHESIS OF-BEFLUBUTAMID USING ASYMMETRIC HYDROGENATION | Cheminova A/S (DK) | 2022-12-21 | — | — | EP | disclosed |
| WO-2021160649-A1 | PROCESS FOR THE SYNTHESIS OF S-BEFLUBUTAMID USING ASYMMETRIC HYDROGENATION | CHEMINOVA A/S (DK) | 2021-08-19 | — | — | WO | disclosed |
| CN-112174787-A | Preparation method of trans-2-methyl-2-butenal | 浙江凯普化工有限公司 | 2021-01-05 | — | — | CN | disclosed |
| CN-112174787-A | Preparation method of trans-2-methyl-2-butenal | 浙江凯普化工有限公司 | 2021-01-05 | — | — | CN | disclosed |
| CN-101622231-B | 2,2,2-tri-substituted acetamide derivatives as glucokinase activators, their process and pharmaceutical application | ADVINUS THERAPEUTICS PRIVATE LTD | 2013-12-04 | — | — | CN | disclosed |
| US-7198926-B2 | Preparation of (E)- and (Z)-2-methyl-2-butenoic acids | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-04-03 | — | — | US | disclosed |
| US-20070037264-A1 | Using trangenic microorganism having nitrilase and amidase activities to convert (E,Z)-2-methyl-2-butenenitrile into (E and Z)-2-methyl-2-butenoic acids | BRAMUCCI MICHAEL G | 2007-02-15 | — | — | US | disclosed |
| US-20060115883-A1 | Preparation of (E)- and (Z)-2-methyl-2-butenoic acids | BRAMUCCI MICHAEL G | 2006-06-01 | — | — | US | disclosed |
| WO-2004101513-A2 | PREPARATION OF (E)- AND (Z)-2-METHYL-2-BUTENOIC ACIDS | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2004-11-25 | — | — | WO | disclosed |
| US-20040224395-A1 | Preparation of (E)- and (Z)-2-methyl-2-butenoic acids | E. I. DU PONT DE NEMOURS AND COMPANY | 2004-11-11 | — | — | US | disclosed |
| US-20030236397-A1 | Process for preparing beta-L-2'deoxy-thymidine | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-12-25 | — | — | US | disclosed |
| WO-2003087118-A2 | METHOD FOR PRODUCING BETA-L-2'DEOXY-THYMIDINE | BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) | 2003-10-23 | — | — | WO | disclosed |
| US-6395920-B1 | OBTAINING 2-SUBSTITUTED AND 2,2- DISUBSTITUTED ACETALS OF MALONDIALDEHYDE FROM ORTHO FORMATES AND SUBSTITUTED VINYL ETHERS IN THE PRESENCE OF AN ACIDIC CATALYST | CREANOVA, INC. | 2002-05-28 | — | — | US | disclosed |
| US-20020040166-A1 | PROCESS FOR PREPARING SUBSTITUTED ACETALS OF MALONDIALDEHYDE | CREANOVA, INC. | 2002-04-04 | — | — | US | disclosed |