⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3992204 | 0.78 | — | — | |
| SCHEMBL6662073 | 0.78 | — | — | |
| SCHEMBL16798172 | 0.76 | — | — | |
| SCHEMBL8720465 | 0.76 | — | — | |
| SCHEMBL9755815 | 0.76 | EGLN1 (0.47) | — | |
| SCHEMBL30022145 | 0.76 | — | — | |
| SCHEMBL30536998 | 0.76 | — | — | |
| SCHEMBL16130 | 0.76 | — | — | |
| SCHEMBL27567423 | 0.76 | MCL1 (0.53) | — | |
| SCHEMBL9400699 | 0.75 | ALOX15 (0.40) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1201647-B1 | Process for producing 4-cyano-4oxobutanoate and 4-cyano-3-hydroxybutanoate | SUMITOMO CHEMICAL CO (JP) | 2004-09-22 | — | — | EP | claimed |
| US-20030105347-A1 | Method for producing 4-cyano-3-oxobutanoate and 4-ctano-3-hydroxybutanoate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-06-05 | — | — | US | claimed |
| EP-1201647-A2 | Process for producing 4-cyano-4oxobutanoate and 4-cyano-3-hydroxybutanoate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-05-02 | — | — | EP | claimed |
| CN-117756801-A | Preparation method of non-neridrone | 江苏海洋大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-111909137-B | Pyridazinone derivative and application thereof | 深圳微芯生物科技股份有限公司 | 2023-05-30 | — | — | CN | disclosed |
| CN-109651424-B | Synthesis method of 7-protecting group-4- (1-hydrogen-pyrazol-4-yl) pyrrole [2,3-d ] pyrimidine | 新发药业有限公司 | 2021-01-22 | — | — | CN | disclosed |
| WO-2020228577-A1 | PYRIDAZINONE DERIVATIVE AND USE THEREOF | 深圳微芯生物科技股份有限公司 | 2020-11-19 | — | — | WO | disclosed |
| EP-1201647-B1 | Process for producing 4-cyano-4oxobutanoate and 4-cyano-3-hydroxybutanoate | SUMITOMO CHEMICAL CO (JP) | 2004-09-22 | — | — | EP | disclosed |
| US-6781009-B2 | BY REACTING A 4-HALO-3-OXOBUTANOATE WITH AN ALKALINE METAL CYANIDE IN METHANOL; PRODUCING 4-CYANO-3-HYDROXYBUTANOATE THEREFROM | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-08-24 | — | — | US | disclosed |
| US-6781009-B2 | BY REACTING A 4-HALO-3-OXOBUTANOATE WITH AN ALKALINE METAL CYANIDE IN METHANOL; PRODUCING 4-CYANO-3-HYDROXYBUTANOATE THEREFROM | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-08-24 | — | — | US | disclosed |
| US-6781009-B2 | BY REACTING A 4-HALO-3-OXOBUTANOATE WITH AN ALKALINE METAL CYANIDE IN METHANOL; PRODUCING 4-CYANO-3-HYDROXYBUTANOATE THEREFROM | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-08-24 | — | — | US | disclosed |
| US-20030105347-A1 | Method for producing 4-cyano-3-oxobutanoate and 4-ctano-3-hydroxybutanoate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-06-05 | — | — | US | disclosed |
| US-20030105347-A1 | Method for producing 4-cyano-3-oxobutanoate and 4-ctano-3-hydroxybutanoate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-06-05 | — | — | US | disclosed |
| US-20030105347-A1 | Method for producing 4-cyano-3-oxobutanoate and 4-ctano-3-hydroxybutanoate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-06-05 | — | — | US | disclosed |
| JP-2003000293-A | METHOD FOR REDUCING 4-CYANOACETOACETATE COMPOUND | SUMITOMO CHEM CO LTD | 2003-01-07 | — | — | JP | disclosed |
| EP-1201647-A3 | Process for producing 4-cyano-4oxobutanoate and 4-cyano-3-hydroxybutanoate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-07-17 | — | — | EP | disclosed |
| EP-1201647-A2 | Process for producing 4-cyano-4oxobutanoate and 4-cyano-3-hydroxybutanoate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-05-02 | — | — | EP | disclosed |
| EP-1201647-A2 | Process for producing 4-cyano-4oxobutanoate and 4-cyano-3-hydroxybutanoate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-05-02 | — | — | EP | disclosed |
| JP-2001261673-A | CYANO COMPOUND AND METHOD OF PRODUCING THE SAME | DAICEL CHEM IND LTD | 2001-09-26 | — | — | JP | disclosed |
| US-3972867-A | Cyanocarboxylate polymers and their process of manufacture | INSTITUT FRANCAIS DU PETROLE, DES CARBURANTS ET LUBRIFIANTS ET ENTREPRISE DE RECHERCHES ET D'ACTIVITIES PETROLIERES ELF (FR) | 1976-08-03 | — | — | US | disclosed |