⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11436191 | 0.82 | — | — | |
| SCHEMBL1602174 | 0.67 | — | — | |
| SCHEMBL6355264 | 0.65 | — | — | |
| SCHEMBL22118875 | 0.64 | — | — | |
| SCHEMBL5404 | 0.64 | — | — | |
| SCHEMBL31296304 | 0.64 | — | — | |
| SCHEMBL3390654 | 0.62 | — | — | |
| SCHEMBL8861364 | 0.61 | — | — | |
| SCHEMBL30901457 | 0.61 | — | — | |
| SCHEMBL30489101 | 0.61 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024027521-A1 | METHYLOPHIOPOGONONE A DERIVATIVE, AND PREPARATION AND USE THEREOF | 中国医学科学院药物研究所 | 2024-02-08 | — | — | WO | claimed |
| CN-119371432-A | Alpha-mangostin derivative and preparation method and application thereof | 上海如凌生物医药有限公司 | 2025-01-28 | — | — | CN | disclosed |
| CN-117534661-A | Methyl ophiopogon flavone A derivative and preparation and application thereof | 中国医学科学院药物研究所 | 2024-02-09 | — | — | CN | disclosed |
| WO-2024027521-A1 | METHYLOPHIOPOGONONE A DERIVATIVE, AND PREPARATION AND USE THEREOF | 中国医学科学院药物研究所 | 2024-02-08 | — | — | WO | disclosed |
| CN-114846001-B | Benzo condensed ring compound | 南京明德新药研发有限公司 | 2024-01-23 | — | — | CN | disclosed |
| WO-2023143402-A1 | STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 珂阑(上海)医药科技有限公司 | 2023-08-03 | — | — | WO | disclosed |
| CN-114846001-A | Benzo-fused ring compounds | 南京明德新药研发有限公司 | 2022-08-02 | — | — | CN | disclosed |
| WO-2021129827-A1 | BENZO FUSED RING-BASED COMPOUND | 南京明德新药研发有限公司 | 2021-07-01 | — | — | WO | disclosed |
| CN-112272666-A | Compounds for the treatment of cancer | 斯基霍克疗法公司 | 2021-01-26 | — | — | CN | disclosed |
| US-4461727-A | PENICILLINS | BRISTOL-MYERS COMPANY (US) | 1984-07-24 | — | — | US | disclosed |
| US-4406834-A | ANTIBIOTICS | BRISTOL-MYERS COMPANY (US) | 1983-09-27 | — | — | US | disclosed |
| US-4378314-A | FOR PENICILLINS AND CEPHALOSPORINS | BRISTOL MYERS COMPANY (US) | 1983-03-29 | — | — | US | disclosed |
| US-4374065-A | PENICILLINS, ANTIBIOTICS | BRISTOL-MYERS COMPANY (US) | 1983-02-15 | — | — | US | disclosed |
| US-4282150-A | CHEMICAL INTERMEDIATES FOR PENICILLINS AND CEPHALOSPORINS | BRISTOL-MYERS COMPANY (US) | 1981-08-04 | — | — | US | disclosed |
| US-4272437-A | PENICILLINS | BRISTOL-MYERS COMPANY (US) | 1981-06-09 | — | — | US | disclosed |