⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1939400 | 0.77 | — | — | |
| SCHEMBL12339113 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL15105881 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL27551597 | 0.74 | — | — | |
| SCHEMBL17656840 | 0.73 | — | — | |
| SCHEMBL6956010 | 0.73 | — | — | |
| SCHEMBL17656834 | 0.73 | — | — | |
| SCHEMBL165457 | 0.73 | — | — | |
| SCHEMBL1054318 | 0.73 | — | — | |
| SCHEMBL17656838 | 0.73 | — | — |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3953360-B1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) | HOFFMANN LA ROCHE (CH) | 2024-02-28 | — | — | EP | disclosed |
| US-20220135591-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) | HOFFMANN-LA ROCHE INC. (US) | 2022-05-05 | — | — | US | disclosed |
| EP-3953360-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) | F. Hoffmann-La Roche AG (CH) | 2022-02-16 | — | — | EP | disclosed |
| CN-113767105-A | Heterocyclic compounds as inhibitors of monoacylglycerol lipases (MAGL) | 豪夫迈·罗氏有限公司 | 2021-12-07 | — | — | CN | disclosed |
| WO-2020207941-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) | F. HOFFMANN-LA ROCHE AG (CH) | 2020-10-15 | — | — | WO | disclosed |
| CN-108348514-A | The pharmaceutical composition of the ALPELISIB of inhibitor containing PI3K and CDK4/6 inhibitor RIBOCICLIB and its application in treatment/pre- anti-cancer | 诺华股份有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-108348611-A | Use the conjoint therapy of PI3K inhibitor and MDM2 inhibitor | 诺华股份有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-107921026-A | Pharmaceutical composition includes (a) α isotype specific PI3K inhibitor alpelisib (BYL719) and (b) AKT inhibitor, it is preferred that MK 2206, afuresertib or uprosertib and its application in treatment/pre- anti-cancer | 诺华股份有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107921037-A | The drug regimen of ALPELISIB and B the RAF inhibitor dabrafenibs of inhibitor containing PI3K；Application of the combination in cancer is treated or prevented | 诺华股份有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107074861-A | 9H pyrimido [4,5-B ] indoles and related analogs as BET bromodomain inhibitors | 密执安大学评议会 | 2017-08-18 | — | — | CN | disclosed |
| EP-1397363-A1 | 5-ETHYL-IMIDAZOTRIAZINONES | Bayer HealthCare AG (DE) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002098880-A1 | 5-ETHYL-IMIDAZOTRIAZINONES | BAYER HEALTHCARE AG (DE) | 2002-12-12 | — | — | WO | disclosed |
| WO-2000068186-A1 | BIS-SULFONAMIDE WITH ANTI-HCMV EFFECT | BAYER AKTIENGESELLSCHAFT (DE) | 2000-11-16 | — | — | WO | disclosed |
| EP-0240818-B1 | FLUORINATED TERTIARY BUTYL AMINES | BAYER AG (DE) | 1991-12-04 | — | — | EP | disclosed |
| US-5019654-A | Fluorinated tertiary butylamines | BAYER AKTIENGESELLSCHAFT (DE) | 1991-05-28 | — | — | US | disclosed |
| EP-0144044-B1 | SUBSTITUTED ACETYLENIC KETONES | BAYER AG (DE) | 1988-03-02 | — | — | EP | disclosed |
| EP-0240818-A1 | Fluorinated tertiary butyl amines | BAYER AG (DE) | 1987-10-14 | — | — | EP | disclosed |
| US-4625066-A | CHEMICAL INTERMEDIATES FOR FUNGICIDES AND PLANT GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1986-11-25 | — | — | US | disclosed |
| US-4609648-A | SYNERGISTS FOR ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-09-02 | — | — | US | disclosed |
| EP-0144044-A2 | Substituted acetylenic ketones | BAYER AG (DE) | 1985-06-12 | — | — | EP | disclosed |