⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL94099 | 0.87 | — | — | |
| SCHEMBL8612074 | 0.84 | — | — | |
| SCHEMBL4394008 | 0.77 | — | — | |
| Alcohol SCHEMBL11301331 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL3457354 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL18282347 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL13884643 | 0.73 | — | — | |
| SCHEMBL4396289 | 0.73 | SIGMAR1 (0.33) | — | |
| SCHEMBL716409 | 0.71 | — | — | |
| SCHEMBL1840595 | 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3456721-B1 | METHOD OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIVITORY ACTIVITY | SHIONOGI & CO (JP) | 2021-02-24 | — | — | EP | disclosed |
| EP-3456721-A2 | METHOD OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIVITORY ACTIVITY | Shionogi & Co., Ltd (JP) | 2019-03-20 | — | — | EP | disclosed |
| EP-3127908-B1 | PROCESS FOR PREPARING COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2018-11-28 | — | — | EP | disclosed |
| US-10125147-B2 | Crystalline methyl (4R,12aS)-7-(benzyloxy)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylate | SHIONOGI & CO., LTD. (JP) | 2018-11-13 | — | — | US | disclosed |
| US-10125146-B2 | Crystalline methyl (4R,12aS)-7-(benzyloxy)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylate | SHIONOGI & CO., LTD. (JP) | 2018-11-13 | — | — | US | disclosed |
| US-10000508-B2 | Crystalline dimethyl 3-(benzyloxy)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate | SHIONOGI & CO., LTD (JP) | 2018-06-19 | — | — | US | disclosed |
| US-9969750-B2 | Method of producing (3S,11aR)-6,8-dihalo-3-methyl-2,3,11,11a-tetrahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-5,7-diones | SHIONOGI AND CO., LTD. (JP) | 2018-05-15 | — | — | US | disclosed |
| US-20180044351-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-02-15 | — | — | US | disclosed |
| US-20180037593-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-02-08 | — | — | US | disclosed |
| US-20180037591-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-02-08 | — | — | US | disclosed |
| EP-1537096-B1 | DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS | SANOFI AVENTIS (FR) | 2008-09-24 | — | — | EP | disclosed |
| US-20070054084-A1 | Optical recording medium and compound used for the same | MITSUI CHEMICALS, INC. (JP) | 2007-03-08 | — | — | US | disclosed |
| CN-1867980-A | Optical recording medium and compound for use in the same | MITSUI CHEMICALS INC (JP) | 2006-11-22 | — | — | CN | disclosed |
| EP-1672626-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM | Mitsui Chemicals, Inc. (JP) | 2006-06-21 | — | — | EP | disclosed |
| EP-0253235-B1 | 1,8-BRIDGED 4-QUINOLONE CARBOXYLIC ACIDS AND MEDICAMENTS CONTANING THEM | BAYER AG (DE) | 1991-01-02 | — | — | EP | disclosed |
| US-4816451-A | Antibacterial 1,8-bridged 4-quinolonecarboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1989-03-28 | — | — | US | disclosed |
| EP-0253235-A1 | 1,8-Bridged 4-quinolone carboxylic acids and medicaments contaning them | BAYER AG (DE) | 1988-01-20 | — | — | EP | disclosed |
| US-4478634-A | HERBICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1984-10-23 | — | — | US | disclosed |
| US-4402729-A | HERBICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1983-09-06 | — | — | US | disclosed |
| US-3951640-A | HERBICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1976-04-20 | — | — | US | disclosed |