⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13979685 | 1.00 | — | — | |
| SCHEMBL752304 | 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 312 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-109467532-B | Preparation method of 4-trifluoromethyl nicotinic acid | 浙江工业大学上虞研究院有限公司 | 2020-09-01 | — | — | CN | claimed |
| EP-3421664-B1 | FLUFF PULP AND HIGH SAP LOADED CORE | INT PAPER CO (US) | 2020-06-17 | — | — | EP | 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-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 |
| 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 |
| 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-0607802-A1 | Process for the preparation of a mixture of aminomethylenated glutacononitriles | BAYER AG (DE) | 1994-07-27 | — | — | EP | claimed |
| EP-0584491-A1 | Process for the production of 2,5-disubstituted pyridines | BAYER AG (DE) | 1994-03-02 | — | — | EP | claimed |
| EP-0285404-B1 | IMPROVED INSECTICIDAL DELIVERY COMPOSITIONS AND METHODS FOR CONTROLLING A POPULATION OF INSECTS IN AN AQUATIC ENVIRONMENT | LEE COUNTY MOSQUITO CONTROL DISTRICT (US) | 1992-11-25 | — | — | EP | claimed |
| EP-0280737-B1 | STEROIDAL DRUG-CONTAINING PREPARATION FOR EXTERNAL USE | TEIKOKU SEIYAKU CO., LTD. (JP) | 1991-12-11 | — | — | EP | claimed |
| EP-0111301-B1 | A TOILET ARTICLE | Nakamura, Kenji (JP) | 1991-04-03 | — | — | 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 |
| EP-0046856-A2 | Process for preparing 4-amino-2-mercapto-pyrimidines | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1982-03-10 | — | — | EP | claimed |
| US-3966791-A | Preparation of dialkyl amino acrylonitrile | HOFFMANN-LA ROCHE INC. (US) | 1976-06-29 | — | — | US | claimed |