⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL182716 | 0.82 | — | — | |
| SCHEMBL8674 | 0.78 | CA2 (0.46) | — | |
| SCHEMBL11199942 | 0.77 | IRAK4 (0.34) | — | |
| SCHEMBL3043536 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL27494520 | 0.76 | CA2 (0.43) | — | |
| SCHEMBL2138768 | 0.76 | CA2 (0.43) | — | |
| SCHEMBL28251730 | 0.76 | CA2 (0.43) | — | |
| SCHEMBL4914823 | 0.75 | TP53 (0.47) | — | |
| SCHEMBL16719916 | 0.75 | TP53 (0.47) | — | |
| SCHEMBL76009 | 0.74 | — | — |
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 1076 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117924231-A | Ester compound, diaryl acrylic acid mixture, and preparation method and application thereof | 莆田学院 | 2024-04-26 | — | — | CN | claimed |
| CN-117603183-A | 1,3-dithiane modified alpha, beta-unsaturated derivative and preparation method thereof | 兰州大学 | 2024-02-27 | — | — | CN | claimed |
| CN-112707899-B | Preparation method of quininol | 东莞市东阳光动物保健药品有限公司 | 2023-10-17 | — | — | CN | claimed |
| US-20230303561-A1 | PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN RESISTING MYCOBACTERIUM TUBERCULOSIS INFECTION | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2023-09-28 | — | — | US | claimed |
| US-11712438-B2 | Phenyl derivatives as PGE2 receptor modulators | IDORSIA PHARMACEUTICALS LTD (CH) | 2023-08-01 | — | — | US | claimed |
| CN-114478478-B | N- (1- (6- (substituted phenyl) pyridazin-3-yl) piperidin-3-yl) amine/amide derivatives and process for preparing the same | 厦门大学 | 2023-06-13 | — | — | CN | claimed |
| CN-114081890-B | Application of pyrimidinone derivative in resisting tubercle bacillus infection | 中国医学科学院医药生物技术研究所 | 2023-06-02 | — | — | CN | claimed |
| EP-4180429-A1 | PYRIMIDINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF AGAINST MYCOBACTERIUM TUBERCULOSIS INFECTION | Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) | 2023-05-17 | — | — | EP | claimed |
| US-20230089351-A1 | METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES | Natural Extraction Systems, LLC (US) | 2023-03-23 | — | — | US | claimed |
| CN-111333495-B | (4-methoxy-3-hydroxyphenyl) (3, 5-dimethyl-2-hydroxyphenyl) ketone, and preparation method and application thereof | 莆田学院 | 2023-01-31 | — | — | CN | claimed |
| US-5321040-A | Pesticidal 1-aryl-5-(substituted N-cinnamylideneimino) pyrazoles | RHONE-POULENC INC. (US) | 1994-06-14 | — | — | US | claimed |
| EP-0563128-A1 | NEW 3,4-DIHYDROISOQUINOLINE DERIVATES AND NEW PHARMACEUTICAL USE OF CARBOCYCLICALLY AND HETEROCYCLICALLY ANNULATED DIHYDROPYRIDINES | BOEHRINGER INGELHEIM KG (DE) | 1993-10-06 | — | — | EP | claimed |
| WO-1993016056-A1 | 3-(PIPERAZIN-1-YL)-PROPANE-1,2-DIOL N-OXYDES AND N,N'-DIOXIDES | DOMPÉ FARMACEUTICI S.P.A. (IT) | 1993-08-19 | — | — | WO | claimed |
| US-5236938-A | Pesticidal 1-aryl-5-(substituted alkylideneimino)pyrazoles | RHONE-POULENC INC. (US) | 1993-08-17 | — | — | US | claimed |
| EP-0251194-B1 | USE OF CARBOCYCLIC AND HETEROCYCLIC CONDENSED DIHYDROPYRIDINES FOR THE PREPARATION OF CARDIOPROTECTIVE REMEDIES AND HETEROCYCLIC AND CARBOCYCLIC CONDENSED DIHYDROPYRIDINES AND METHODS AND INTERMEDIATES FOR THEIR PREPARATION | BOEHRINGER INGELHEIM KG (DE) | 1993-03-31 | — | — | EP | claimed |
| EP-0511845-A1 | Pesticidal 1-aryl-5-(substituted alkylideneimino)-pyrazoles | RHONE-POULENC AGROCHIMIE (FR) | 1992-11-04 | — | — | EP | claimed |
| WO-1992011010-A1 | NEW 3,4-DIHYDROISOQUINOLINE DERIVATES AND NEW PHARMACEUTICAL USE OF CARBOCYCLICALLY AND HETEROCYCLICALLY ANNULATED DIHYDROPYRIDINES | BOEHRINGER INGELHEIM KG (DE) | 1992-07-09 | — | — | WO | claimed |
| EP-0251194-A1 | Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation | BOEHRINGER INGELHEIM KG (DE) | 1988-01-07 | — | — | EP | claimed |
| US-4639452-A | Arylic derivatives of piperazine, the method of preparing same and their application in therapeutics | DELALANDE S.A. (FR) | 1987-01-27 | — | — | US | claimed |
| US-4252807-A | Fused pyrimidine derivatives and antiatherosclerotic methods of treatment with them | CHINCIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1981-02-24 | — | — | US | claimed |