⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22062337 | 0.67 | — | — | |
| SCHEMBL17341934 | 0.64 | GAA (0.30) | — | |
| SCHEMBL10580749 | 0.61 | — | — | |
| SCHEMBL20342124 | 0.58 | — | — | |
| SCHEMBL19426391 | 0.56 | — | — | |
| SCHEMBL21394579 | 0.56 | PDE4D (0.50) | — | |
| SCHEMBL881396 | 0.55 | — | — | |
| SCHEMBL2089866 | 0.54 | — | — | |
| SCHEMBL31029450 | 0.54 | — | — | |
| SCHEMBL15677667 | 0.53 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117466887-A | Preparation method and intermediate of 1,3, 9-trimethyl-1, 9-dihydro-4H-pyrazolo [3,4-b ] quinolin-4-one | 苏州美诺医药科技有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-110452173-A | A kind of new method for manufacturing pyrazoles or pyrimidone | FUJIAN YONGJING TECH CO LTD | 2019-11-15 | — | — | CN | disclosed |
| CN-107011326-B | Fungicidal pyrazoles compound | FMC公司 | 2019-11-12 | — | — | CN | disclosed |
| CN-110357859-A | A kind of quinazoline diones class compound and its application and a kind of pesticide herbicide containing unsaturated group | 山东先达农化股份有限公司 | 2019-10-22 | — | — | CN | disclosed |
| CN-110357861-A | A kind of pyrazoles quinazoline diones class compound and its application and a kind of pesticide herbicide | 山东先达农化股份有限公司 | 2019-10-22 | — | — | CN | disclosed |
| CN-106008299-B | It is used to prepare the intermediate of antifungal pyrazoles | 杜邦公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107428719-A | 4-methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) | 迈奥卡迪亚公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-107011326-A | Fungicidal pyrazoles compound | 纳幕尔杜邦公司 | 2017-08-04 | — | — | CN | disclosed |
| CN-106417305-A | Fungicidal pyrazoles and their mixtures | 杜邦公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106008299-A | Intermediate for preparing fungicidal pyrazoles | 杜邦公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-103140136-B | fungicidal pyrazoles and mixtures thereof | DUPONT (US) | 2016-05-11 | — | — | CN | disclosed |
| CN-103140136-A | Fungicidal pyrazoles and mixtures thereof | DU PONT | 2013-06-05 | — | — | CN | disclosed |
| CN-101243050-B | Pyrazolone derivatives | HOFFMANN LA ROCHE | 2012-07-04 | — | — | CN | disclosed |
| CN-101243050-A | Pyrazolone derivatives | HOFFMANN LA ROCHE (CH) | 2008-08-13 | — | — | CN | disclosed |