⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22616854 | 0.81 | — | — | |
| SCHEMBL1019316 | 0.78 | — | — | |
| SCHEMBL3087615 | 0.77 | — | — | |
| SCHEMBL22750531 | 0.73 | — | — | |
| SCHEMBL7696998 | 0.72 | CYP4F2 (0.33) | — | |
| SCHEMBL6893105 | 0.72 | — | — | |
| SCHEMBL4196261 | 0.71 | — | — | |
| SCHEMBL1164528 | 0.71 | — | — | |
| SCHEMBL1019656 | 0.71 | — | — | |
| SCHEMBL6141461 | 0.71 | — | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250248975-A1 | MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF | SCHRODINGER, LLC | 2025-08-07 | — | — | US | disclosed |
| EP-3377473-B1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS INC (US) | 2024-06-19 | — | — | EP | disclosed |
| WO-2024054851-A1 | MACROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USING THEREOF | SIONNA THERAPEUTICS (US) | 2024-03-14 | — | — | WO | disclosed |
| US-20230280655-A1 | COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2023-09-07 | — | — | US | disclosed |
| US-20230133817-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS INC (US) | 2023-05-04 | — | — | US | disclosed |
| US-20230133817-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS INC (US) | 2023-05-04 | — | — | US | disclosed |
| CN-108884058-B | Macrocyclic broad spectrum antibiotics | 阿奇克斯制药公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-108137556-B | 1, 4-dicarbonyl-piperidinyl derivatives | 默克专利股份公司 | 2021-07-30 | — | — | CN | disclosed |
| US-10570116-B2 | 1,4-dicarbonyl-piperidyl derivatives | MERCK PATENT GMBH (DE) | 2020-02-25 | — | — | US | disclosed |
| EP-3371166-B1 | 1,4-DICARBONYL-PIPERIDYL DERIVATIVES | MERCK PATENT GMBH (DE) | 2019-11-20 | — | — | EP | disclosed |
| EP-2079480-A2 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2009-07-22 | — | — | EP | disclosed |
| US-7405236-B2 | Indole derivatives comprising an acetylene group | HOFFMAN-LA ROCHE INC. (US) | 2008-07-29 | — | — | US | disclosed |
| WO-2008051514-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |
| US-7253192-B2 | Phenyl derivatives comprising an acetylene group | HOFFMANN-LA ROCHE INC. (US) | 2007-08-07 | — | — | US | disclosed |
| EP-1781608-A1 | INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-05-09 | — | — | EP | disclosed |
| EP-1765760-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006018174-A1 | INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-02-23 | — | — | WO | disclosed |
| US-20060035956-A1 | e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis | HOFFMANN-LA ROCHE INC. | 2006-02-16 | — | — | US | disclosed |
| WO-2006002802-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | WO | disclosed |
| US-20060004091-A1 | Phenyl derivatives comprising an acetylene group | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-05 | — | — | US | disclosed |