⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1566321 | 0.86 | — | — | |
| SCHEMBL1468132 | 0.82 | CYP2C19 (0.31) | — | |
| SCHEMBL908521 | 0.74 | — | — | |
| SCHEMBL4950944 | 0.70 | — | — | |
| SCHEMBL21066117 | 0.70 | CYP2C19 (0.46) | — | |
| SCHEMBL980668 | 0.70 | — | — | |
| SCHEMBL18053234 | 0.68 | MAOA (0.37) | — | |
| SCHEMBL7027814 | 0.67 | ITGB2 (0.44) | — | |
| SCHEMBL257414 | 0.67 | — | — | |
| SCHEMBL4651816 | 0.67 | CYP2C19 (0.37) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110339188-B | Application of 4-methyl-5, 6-dihydropyran-2-one in preparing medicine for preventing hepatic fibrosis and liver cancer | 中国医学科学院医药生物技术研究所 | 2021-08-17 | — | — | CN | disclosed |
| CN-108026084-A | Therapeutic compounds and its application method | 夸利蒂赫布丘蒂克斯公司 | 2018-05-11 | — | — | CN | disclosed |
| US-8883782-B2 | Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use | AMGEN INC. (US) | 2014-11-11 | — | — | US | disclosed |
| EP-2547685-A1 | SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS | Amgen Inc. (US) | 2013-01-23 | — | — | EP | disclosed |
| US-20110251190-A1 | SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2011-10-13 | — | — | US | disclosed |
| WO-2011115938-A1 | SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS | AMGEN INC. (US) | 2011-09-22 | — | — | WO | disclosed |
| US-20110014504-A1 | LITHIUM SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-01-20 | — | — | US | disclosed |
| CN-100563056-C | Lithium secondary battery | MITSUBISHI CHEM CORP (JP) | 2009-11-25 | — | — | CN | disclosed |
| US-20080311478-A1 | Lithium Secondary Battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2008-12-18 | — | — | US | disclosed |
| CN-101203982-A | Lithium secondary battery | MITSUBISHI CHEM CORP (JP) | 2008-06-18 | — | — | CN | disclosed |
| EP-1892789-A1 | LITHIUM SECONDARY BATTERY | Mitsubishi Chemical Corporation (JP) | 2008-02-27 | — | — | EP | disclosed |
| EP-0105474-B1 | PROCESS FOR OBTAINING CRYSTALLINE 1,3-CYCLOHEXANE DIONE | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-10-23 | — | — | EP | disclosed |
| EP-0105474-A2 | Process for obtaining crystalline 1,3-cyclohexane dione | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-04-18 | — | — | EP | disclosed |