⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL752305 | 1.00 | — | — | |
| SCHEMBL13979685 | 1.00 | — | — | |
| SCHEMBL3039779 | 0.74 | — | — | |
| SCHEMBL13464673 | 0.74 | — | — | |
| SCHEMBL3039781 | 0.74 | — | — | |
| SCHEMBL13464672 | 0.74 | — | — | |
| SCHEMBL7133134 | 0.72 | — | — | |
| SCHEMBL785169 | 0.71 | — | — | |
| SCHEMBL22284113 | 0.71 | ALDH1A1 (1.00) | — | |
| SCHEMBL28667 | 0.71 | — | — |
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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113480477-A | Preparation process of 4-trifluoromethyl nicotinic acid | 江西汇和化工有限公司 | 2021-10-08 | — | — | CN | claimed |
| CN-107652241-B | Method for synthesizing cytosine | 新乡拓新药业股份有限公司 | 2020-03-31 | — | — | CN | claimed |
| CN-107333975-B | A kind of novel processing step of chromium picolinate based food additive | 淄博职业学院 | 2019-10-08 | — | — | CN | claimed |
| CN-109467532-A | The preparation method of 4- trifluoromethyl nicotinic acid | 浙江工业大学上虞研究院有限公司 | 2019-03-15 | — | — | CN | claimed |
| CN-107652241-A | A kind of method of synthesizing cytimidine | 新乡拓新药业股份有限公司 | 2018-02-02 | — | — | CN | claimed |
| CN-107382989-A | A kind of synthetic method with oxazole ring structure immunosuppressive drug | 河南科技大学第附属医院 | 2017-11-24 | — | — | CN | claimed |
| CN-107337665-A | A kind of synthetic method with triazole ring structure immunosuppressive drug | 淄博职业学院 | 2017-11-10 | — | — | CN | claimed |
| CN-107333975-A | A kind of novel processing step of chromium picolinate based food additive | 淄博职业学院 | 2017-11-10 | — | — | CN | claimed |
| US-7619084-B2 | Reacting an acrylonitrile, ammonia and alkyl orthoformate in an ammonia-isopropyl alcoholsolution under stirring at 145 degrees C. for 12 hours; nonteratogenicity, nontoxic; simplification; industrial scale; chemical intermediates; drugs; agricultural chemicals | UBE INDUSTRIES, LTD. (JP) | 2009-11-17 | — | — | US | claimed |
| US-20080045712-A1 | Process for Preparing 4-Aminopyrimidine Compound | UBE INDUSTRIES, LTD. (JP) | 2008-02-21 | — | — | US | claimed |
| CN-101048385-A | Process for producing 4-aminopyrimidine compound | UBE INDUSTRIES (JP) | 2007-10-03 | — | — | CN | claimed |
| EP-0607802-B1 | Process for the preparation of a mixture of aminomethylenated glutacononitriles | BAYER AG (DE) | 1998-04-22 | — | — | EP | claimed |
| US-5475131-A | Process for the preparation of a mixture of aminomethylenated glutaconic acid dinitriles | BAYER AKTIENGESELLSCHAFT (DE) | 1995-12-12 | — | — | US | claimed |
| US-5466800-A | Process for the preparation of 2,5-disubstituted pyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1995-11-14 | — | — | US | claimed |
| EP-0584491-B1 | Process for the production of 2,5-disubstituted pyridines | BAYER AG (DE) | 1995-05-03 | — | — | EP | claimed |
| EP-0018473-B1 | PROCESS FOR THE PREPARATION OF BETA-ALKOXY-ACRYLONITRILES, 3-AMINO-ACRYLONITRILES AND 2-CYANO-VINYL ESTERS | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1982-12-29 | — | — | EP | claimed |
| JP-7291933-A | — | — | None | — | — | JP | disclosed |
| JP-6247921-A | — | — | None | — | — | JP | disclosed |
| EP-0018473-A1 | Process for the preparation of beta-alkoxy-acrylonitriles, 3-amino-acrylonitriles and 2-cyano-vinyl esters | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1980-11-12 | — | — | EP | disclosed |
| US-3970622-A | Heat stabilizers for polyvinyl chloride (β-amino-β-arylacrylonitriles) | AMERICAN CYANAMID COMPANY (US) | 1976-07-20 | — | — | US | disclosed |