⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL6671828 | 1.00 | — | — | |
| Ether SCHEMBL10949974 | 0.96 | — | — | |
| Ether SCHEMBL3506897 | 0.93 | ALDH1A1 (0.38) | — | |
| Ether SCHEMBL3504839 | 0.90 | ALDH1A1 (0.43) | — | |
| Ether SCHEMBL20702262 | 0.87 | ALDH1A1 (0.48) | — | |
| Ether SCHEMBL3667372 | 0.87 | ALDH1A1 (0.48) | — | |
| Ether SCHEMBL9901010 | 0.87 | ALDH1A1 (0.30) | — | |
| Acetonitrile SCHEMBL28114814 | 0.86 | ALDH1A1 (0.45) | — | |
| Ether SCHEMBL11167561 | 0.85 | — | — | |
| Ether SCHEMBL1035743 | 0.83 | ALDH1A1 (0.44) | — |
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 470 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107793356-A | A kind of salt derivative of tetrahydroisoquinoline and its preparation method and application of crystal | 上海医药工业研究院 | 2018-03-13 | — | — | CN | claimed |
| CN-107778232-A | A kind of salt derivative of tetrahydroisoquinoline and its preparation method and application of crystal | 上海医药工业研究院 | 2018-03-09 | — | — | CN | claimed |
| CN-105777774-A | Crystal form X of Tipidogrel free alkali and preparation method and application thereof | 天津药物研究院有限公司 | 2016-07-20 | — | — | CN | claimed |
| US-5164499-A | Nitroaryl carbonyl compounds, nitrodihydroaryl carbonyl intermediates thereto, and processes | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-11-17 | — | — | US | claimed |
| US-4743690-A | NITROARYL COMPOUND, SILANE, FLUORO ONIUM COMPOUND, BROMIDE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-05-10 | — | — | US | claimed |
| JP-55098178-A | — | — | None | — | — | JP | disclosed |
| WO-2024126617-A1 | BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY | CROSSFIRE ONCOLOGY HOLDING B.V. (NL) | 2024-06-20 | — | — | WO | disclosed |
| CN-117915786-A | Agent for heart disease and method for improving heart disease | 未来生物科学实验室株式会社 | 2024-04-19 | — | — | CN | disclosed |
| US-11958868-B2 | Methods of using metal complexes to promote wound healing | UNIVERSITY OF MACAU (CN) | 2024-04-16 | — | — | US | disclosed |
| CN-117586260-A | Metal coordination cage, preparation method thereof and application of metal coordination cage in iodine adsorption | 华东师范大学 | 2024-02-23 | — | — | CN | disclosed |
| EP-3844144-B1 | NEW FUNCTIONALISED TETRAZENE COMPOUNDS | ARIANEGROUP SAS (FR) | 2023-12-13 | — | — | EP | disclosed |
| US-20230391810-A1 | METHODS OF USING METAL COMPLEXES TO PROMOTE WOUND HEALING | UNIVERSITY OF MACAU (CN) | 2023-12-07 | — | — | US | disclosed |
| WO-1980000537-A1 | PYRIMIDO(1,6-A)INDOLE DERIVATIVES | AMERICAN HOME PROD (US) | 1980-04-03 | — | — | WO | disclosed |
| EP-0008950-A2 | Pyrimido(1,6-a)indole derivatives and intermediates therefor, processes for their preparation, pharmaceutical compositions containing the derivatives and their use | AMERICAN HOME PRODUCTS CORPORATION (US) | 1980-03-19 | — | — | EP | disclosed |
| US-4188389-A | 1,2,3,4-Tetrahydropyrrolo(1,2-A)pyrazines | AYERST MCKENNA & HARRISON, INC. (CA) | 1980-02-12 | — | — | US | disclosed |
| US-4187311-A | TREATMENT OF SENILITY AND REVERSAL OF AMNESIA | WARNER-LAMBERT COMPANY (US) | 1980-02-05 | — | — | US | disclosed |
| EP-0005646-A1 | Isoquinoline compounds, their preparation, pharmaceutical formulations containing them and intermediates | Lilly Industries Limited (GB) | 1979-11-28 | — | — | EP | disclosed |
| US-4031093-A | ANTIALLERGENS | BRISTOL-MYERS COMPANY (US) | 1977-06-21 | — | — | US | disclosed |
| US-3952061-A | Method of isomerizing humulone to isohumulone by catalytic acceleration with metal salts | ATLANTIC RESEARCH INSTITUTE LIMITED (BA) | 1976-04-20 | — | — | US | disclosed |
| US-3941823-A | NITROSATION OF AN IMIDO-ESTER OR -THIOESTER | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1976-03-02 | — | — | US | disclosed |