⚠ 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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL24482 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL3785209 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL28457765 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL1331901 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL28615209 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL1331990 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL70316 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL8506185 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL30152067 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL1330811 | 0.94 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473528-A | High intensity sweetner | 赛诺米克斯公司 | 2018-08-31 | — | — | CN | disclosed |
| US-7598243-B2 | inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases | MERCK & CO., INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-20070117797-A1 | Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2007-05-24 | — | — | US | disclosed |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |
| US-20060089379-A1 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2006-04-27 | — | — | US | disclosed |
| US-6545023-B2 | For treating rheumatoid arthritis; for examle, 1-(4-(4-fluorophenyl)piperidin-1-yl),3-(2-methoxy-4 -chlorobenzylaminocarbonyl),3-isopropyl-cyclopentane | MERCK & CO., INC. | 2003-04-08 | — | — | US | disclosed |
| EP-1243271-A1 | NASAL DROPS CONTAINING FUSED PYRIDAZINE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |
| US-5491149-A | VIRICIDES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |
| US-5352811-A | To produce homoallylic alcohol, acylation, oxidation of double bond | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-10-04 | — | — | US | disclosed |
| US-5158941-A | Lipid A analog as stimulant for production of interleukin-1 in human monocytes and tumor cell growth inhibitor | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-10-27 | — | — | US | disclosed |
| US-4892947-A | 3(2H)Pyridazinone, process for its preparation and anti-allergic agent containing it | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1990-01-09 | — | — | US | disclosed |