⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5560870 | 0.82 | CA1 (0.44) | — | |
| SCHEMBL1495985 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL13895351 | 0.79 | — | — | |
| SCHEMBL9201391 | 0.79 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL27400391 | 0.79 | — | — | |
| SCHEMBL9175169 | 0.79 | CA1 (0.41) | — | |
| SCHEMBL6272993 | 0.79 | — | — | |
| SCHEMBL27773796 | 0.79 | — | — | |
| SCHEMBL13497159 | 0.79 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL27647701 | 0.79 | — | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107417719-B | Application of titanium chelate as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange | 华东理工大学 | 2022-11-25 | — | — | CN | claimed |
| EP-0417597-B1 | Method for the production of 2-formylbutyric acid methyl ester | HOECHST AG (DE) | 1995-04-05 | — | — | EP | claimed |
| US-4997955-A | From aldehyde | BASF AKTIENGESELLSCHAFT (DE) | 1991-03-05 | — | — | US | claimed |
| EP-0001740-B1 | PROCESS FOR THE MANUFACTURE OF 3-HALOALKOXY- AND 3-HYDROXYALKOXY-2-ALKYLPROPIONIC ACIDS ESTERS | BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) | 1980-09-03 | — | — | EP | claimed |
| US-20230083012-A1 | DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) | 2023-03-16 | — | — | US | disclosed |
| CN-107876092-B | Application of titanium catalyst with cyclic structure as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange | 华东理工大学 | 2023-01-10 | — | — | CN | disclosed |
| CN-107417719-B | Application of titanium chelate as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange | 华东理工大学 | 2022-11-25 | — | — | CN | disclosed |
| EP-4003355-A1 | DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | Janssen Sciences Ireland Unlimited Company (IE) | 2022-06-01 | — | — | EP | disclosed |
| CN-114173787-A | Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases | 杨森科学爱尔兰无限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-105980386-B | Pyrazolo compounds and uses thereof | 基因泰克公司 | 2021-08-13 | — | — | CN | disclosed |
| WO-2021018237-A1 | DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | Janssen Sciences Ireland Unlimited Company (IE) | 2021-02-04 | — | — | WO | disclosed |
| CN-108137803-B | Resin, composition, cured film, method for producing cured film, and semiconductor device | 富士胶片株式会社 | 2020-04-17 | — | — | CN | disclosed |
| EP-0417597-A2 | Method for the production of 2-formylbutyric acid methyl ester | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-03-20 | — | — | EP | disclosed |
| US-4997955-A | From aldehyde | BASF AKTIENGESELLSCHAFT (DE) | 1991-03-05 | — | — | US | disclosed |
| EP-0193853-B1 | 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1990-09-12 | — | — | EP | disclosed |
| US-4783462-A | 3(2H)pyridazinone, and anti-allergic agent containing it | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1988-11-08 | — | — | US | disclosed |
| US-4513005-A | SULFIDE OR SULFONE HYDROXY ACIDS | LILLY INDUSTRIES LIMITED (GB) | 1985-04-23 | — | — | US | disclosed |
| EP-0068739-B1 | SULPHUR-CONTAINING 5-HYDROXY-ALKANOIC ACID DERIVATIVES, THEIR USE AS PHARMACEUTICAL PREPARATIONS AND PROCESS FOR THEIR PRODUCTION | Lilly Industries Limited (GB) | 1984-11-14 | — | — | EP | disclosed |
| EP-0068739-A1 | Sulphur-containing 5-hydroxy-alkanoic acid derivatives, their use as pharmaceutical preparations and process for their production | Lilly Industries Limited (GB) | 1983-01-05 | — | — | EP | disclosed |
| US-4278808-A | Method of preparing a 3-alkoxy-2-alkyl-propionic acid ester derivative and intermediate therefor | BRACCO INDUSTRIA CHIMICA S.P.A. (IT) | 1981-07-14 | — | — | US | disclosed |