⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2987558 | 0.76 | — | — | |
| SCHEMBL1378510 | 0.76 | — | — | |
| SCHEMBL28563163 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL2991782 | 0.74 | — | — | |
| SCHEMBL28471443 | 0.74 | ALDH1A1 (0.46) | — | |
| Ethyl Acetate SCHEMBL23500866 | 0.74 | ALDH1A1 (0.74) | — | |
| SCHEMBL28467229 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL2982561 | 0.74 | ALDH1A1 (0.46) | — | |
| Disodium Ethoxycarbonylphosphonate SCHEMBL10886559 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL2240528 | 0.72 | CA12 (0.47) | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116583529-A | Abiraterone derivative and preparation method thereof | 上海喀露蓝科技有限公司 | 2023-08-11 | — | — | CN | claimed |
| US-12397058-B2 | Metabolically stable prodrugs | TSRL, INC. (US) | 2025-08-26 | — | — | US | disclosed |
| US-12391711-B2 | Tetrahydrocannabinol derivatives, preparation method thereof and use thereof | CHENGDU BAIYU PHARMACEUTICAL CO., LTD. (CN) | 2025-08-19 | — | — | US | disclosed |
| CN-114644673-B | Estradiol derivative, preparation method thereof and application thereof in medicine | 上海喀露蓝科技有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-116583529-A | Abiraterone derivative and preparation method thereof | 上海喀露蓝科技有限公司 | 2023-08-11 | — | — | CN | disclosed |
| US-20230227482-A1 | TETRAHYDROCANNABINOL DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF | CHENGDU BAIYU PHARMACEUTICAL CO., LTD. (CN) | 2023-07-20 | — | — | US | disclosed |
| EP-4089081-A1 | TETRAHYDROCANNABINOL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) | 2022-11-16 | — | — | EP | disclosed |
| CN-114644673-A | Estradiol derivative, preparation method and medical application thereof | 上海喀露蓝科技有限公司 | 2022-06-21 | — | — | CN | disclosed |
| US-20210401992-A1 | METABOLICALLY STABLE PRODRUGS | TSRL, INC. (US) | 2021-12-30 | — | — | US | disclosed |
| CN-112390821-B | Propofol phosphamide derivative, preparation method and medical application thereof | 四川夏派森医药科技有限公司 | 2021-11-02 | — | — | CN | disclosed |
| WO-2002007780-A2 | METHODS FOR IDENTIFYING THERAPEUTIC TARGETS | NEWBIOTICS, INC. (US) | 2002-01-31 | — | — | WO | disclosed |
| EP-1135401-A1 | GLYCERYL NUCLEOTIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE | SCHOTT, Herbert (DE) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000034298-A1 | GLYCERYL NUCLEOTIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE | SCHOTT HERBERT (DE) | 2000-06-15 | — | — | WO | disclosed |
| WO-1998016537-A1 | NOVEL COMPOUNDS | ASTRA AKTIEBOLAG (PUBL) (SE) | 1998-04-23 | — | — | WO | disclosed |
| US-5166386-A | Inhibit cholesterol biosynthesis | E. R. SQUIBB & SONS, INC. (US) | 1992-11-24 | — | — | US | disclosed |
| US-5132414-A | DIDEOXYNUCLEOSIDE-5'-PHOSPHONOFORMIC ACID COMPOUNDS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 1992-07-21 | — | — | US | disclosed |
| US-5107011-A | Intermediates for anticholesterol agents | E. R. SQUIBB & SONS, INC. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0456468-A2 | Complex of dideoxynucleoside and phosphonoformic acid | DANA-FARBER CANCER INSTITUTE, INC. (US) | 1991-11-13 | — | — | EP | disclosed |
| US-5025003-A | Anticholesterol agents | E. R. SQUIBB & SONS, INC. (US) | 1991-06-18 | — | — | US | disclosed |
| EP-0418814-A2 | Isoprenoid phosphinylformic acid squalene synthetase inhibitors and method for preparing the same | E.R. SQUIBB & SONS, INC. (US) | 1991-03-27 | — | — | EP | disclosed |