⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7824333 | 0.76 | — | — | |
| SCHEMBL1986587 | 0.74 | — | — | |
| SCHEMBL13248855 | 0.67 | MAPT (0.31) | — | |
| SCHEMBL16368529 | 0.67 | — | — | |
| SCHEMBL6902631 | 0.67 | — | — | |
| SCHEMBL12154579 | 0.67 | — | — | |
| SCHEMBL8228480 | 0.67 | — | — | |
| SCHEMBL12330075 | 0.67 | — | — | |
| SCHEMBL1072882 | 0.67 | — | — | |
| SCHEMBL3630845 | 0.65 | — | — |
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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106431870-B | A kind of preparation method of 5- hydroxyl -2- cyclopentenone compounds | 兰州大学 | 2019-04-09 | — | — | CN | claimed |
| CN-106431870-A | Preparation method of 5-hydroxy-2-cyclopentenone compound | 兰州大学 | 2017-02-22 | — | — | CN | claimed |
| US-7683068-B2 | Hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-03-23 | — | — | US | claimed |
| US-7652058-B2 | Octahydropyrano[3,4-C]pyrrole tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-01-26 | — | — | US | claimed |
| EP-1827420-A4 | OCTAHYDROPYRANO[3,4-C]PYRROLE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-03-04 | — | — | EP | claimed |
| EP-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | claimed |
| US-20090054462-A1 | Hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. | 2009-02-26 | — | — | US | claimed |
| US-20080280966-A1 | Hydroisoindoline Tachykinin Receptor Antagonists | VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) | 2008-11-13 | — | — | US | claimed |
| US-20080108689-A1 | Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists | MERCK SHARP & DOHME CORP. | 2008-05-08 | — | — | US | claimed |
| EP-1898905-A2 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-03-19 | — | — | EP | claimed |
| EP-1827420-A2 | OCTAHYDROPYRANO[3,4-C]PYRROLE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-09-05 | — | — | EP | claimed |
| US-7217731-B2 | Hydroisoindoline tachykinin receptor antagonists | MERCK & CO., INC. (US) | 2007-05-15 | — | — | US | claimed |
| WO-2007002457-A2 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | claimed |
| EP-1711465-A1 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-10-18 | — | — | EP | claimed |
| WO-2006065711-A2 | OCTAHYDROPYRANO[3,4-C]PYRROLE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-06-22 | — | — | WO | claimed |
| WO-2005073191-A1 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-08-11 | — | — | WO | claimed |
| US-20050165083-A1 | Hydroisoindoline tachykinin receptor antagonists | VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) | 2005-07-28 | — | — | US | claimed |
| EP-0115860-B1 | OPTICALLY ACTIVE 4-HYDROXY-2-CYCLOPENTENONES, AND THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-10-12 | — | — | EP | claimed |
| US-4729953-A | 4-CYCLOPENTENONE ESTER, HYDROLYSIS, ENZYME OR MICROORGANISM, REARRANGEMENTS, CATALYSTS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-03-08 | — | — | US | claimed |
| EP-0115860-A2 | Optically active 4-hydroxy-2-cyclopentenones, and their production | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-08-15 | — | — | EP | claimed |