⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2464104 | 0.97 | GAA (0.67) | — | |
| Formic Acid SCHEMBL28806091 | 0.91 | GAA (0.58) | — | |
| SCHEMBL4650132 | 0.91 | GAA (0.58) | — | |
| Malonic Acid Diethyl Ester SCHEMBL3823348 | 0.84 | GAA (0.79) | — | |
| Malonic Acid Diethyl Ester SCHEMBL8636 | 0.83 | GAA (1.00) | — | |
| Malonic Acid Diethyl Ester SCHEMBL1330550 | 0.83 | GAA (1.00) | — | |
| Malonic Acid Diethyl Ester SCHEMBL1331824 | 0.83 | GAA (1.00) | — | |
| Malonic Acid Diethyl Ester SCHEMBL1331187 | 0.83 | GAA (1.00) | — | |
| Malonic Acid Diethyl Ester SCHEMBL1864301 | 0.83 | GAA (1.00) | — | |
| SCHEMBL27996403 | 0.82 | — | — |
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 381 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117682997-A | Synthesis method of 3-fluoro-4- (1-pyrazole) -benzonitrile derivative | 青岛科技大学 | 2024-03-12 | — | — | CN | claimed |
| US-11866343-B2 | A-site high-entropy nanometer metal oxide with high conductivity, and preparation method thereof | ZHEJIANG UNIVERSITY (CN) | 2024-01-09 | — | — | US | claimed |
| US-20230192646-A1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES | UCB Biopharma SRL (BE) | 2023-06-22 | — | — | US | claimed |
| EP-4081299-A1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES | UCB Biopharma SRL (BE) | 2022-11-02 | — | — | EP | claimed |
| CN-114867525-A | Dihydrocyclopentaisoquinoline derivatives | UCB生物制药有限责任公司 | 2022-08-05 | — | — | CN | claimed |
| CN-113023777-B | High-conductivity A-site high-entropy nano metal oxide and preparation method thereof | 浙江大学 | 2022-04-12 | — | — | CN | claimed |
| CN-108904503-B | Application of 6-chloro-5-nitro-2, 4-diaminopyrimidine in medicine for treating chronic granulocytic leukemia | 陕西科技大学 | 2021-09-28 | — | — | CN | claimed |
| WO-2021130255-A1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES | UCB Biopharma SRL (BE) | 2021-07-01 | — | — | WO | claimed |
| CN-113023777-A | High-conductivity A-site high-entropy nano metal oxide and preparation method thereof | 浙江大学 | 2021-06-25 | — | — | CN | claimed |
| US-10329261-B1 | Method of preparing 6-chloro-5-nitro-2,4-diaminopyrimidine and its application thereof | XI'AN TAIKOMED PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2019-06-25 | — | — | US | claimed |
| WO-2004018428-A1 | ANTIBACTERIAL BENZOIC ACID DERIVATIVES | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-04 | — | — | WO | claimed |
| US-6676926-B2 | FOR ADMINISTERING TO A HUMAN IN NEED OF SUCH DIAGNOSIS AND MEASURING THE RADIOACTIVITY ARISING FROM THE ADMINISTRATION OF THE COMPOUND TO THE HUMAN EITHER BY USING A GAMMA CAMERA OR BY POSITRON EMISSION TOMOGRAPHY | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-13 | — | — | US | claimed |
| CN-1422246-A | Malonamic acids and derivatives thereof as thyroid receptor ligands | PFIZER PROD INC (US) | 2003-06-04 | — | — | CN | claimed |
| US-6248571-B1 | USING RHODOCOCCUS TO CONVERT STARTING MATERIAL INTO MALONIC ACID DERVIATIVE, THEN CYCLIZING WITH CARBOXAMIDE IN PRESENCE OF BASE; CHEMICAL INTERMEDIATES FOR INSECTICIDES | LONZA AG (CH) | 2001-06-19 | — | — | US | claimed |
| EP-0852580-B1 | METHOD OF PRODUCING DIHYDROXYPYRIMIDINE DERIVATIVES | LONZA AG (CH) | 2000-10-25 | — | — | EP | claimed |
| EP-0703216-B1 | Amidinophenol derivatives as protease inhibitors | ONO PHARMACEUTICAL CO (JP) | 1999-04-07 | — | — | EP | claimed |
| EP-0852580-A1 | METHOD OF PRODUCING DIHYDROXYPYRIMIDINE DERIVATIVES | LONZA AG (CH) | 1998-07-15 | — | — | EP | claimed |
| WO-1997008152-A1 | METHOD OF PRODUCING DIHYDROXYPYRIMIDINE DERIVATIVES | LONZA AG (CH) | 1997-03-06 | — | — | WO | claimed |
| EP-0325245-B1 | Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use | TANABE SEIYAKU CO (JP) | 1993-10-20 | — | — | EP | claimed |
| EP-0271443-B1 | N,N'-DISUBSTITUTED UREAS AND PROCESS FOR THEIR PRODUCTION | CIBA-GEIGY AG (CH) | 1990-10-17 | — | — | EP | claimed |