⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27436422 | 0.98 | TSHR (0.61) | — | |
| SCHEMBL2223429 | 0.95 | TSHR (0.63) | — | |
| SCHEMBL3635136 | 0.95 | TSHR (0.63) | — | |
| SCHEMBL8710504 | 0.93 | ALDH1A1 (0.61) | — | |
| SCHEMBL11402027 | 0.93 | ALDH1A1 (0.61) | — | |
| SCHEMBL675456 | 0.93 | ALDH1A1 (0.61) | — | |
| SCHEMBL11488922 | 0.93 | ALDH1A1 (0.61) | — | |
| SCHEMBL1292196 | 0.93 | ALDH1A1 (0.61) | — | |
| SCHEMBL21138457 | 0.93 | ALDH1A1 (0.61) | — | |
| Hydrochloric Acid SCHEMBL19031025 | 0.93 | TSHR (0.61) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116547281-A | Isoxazolidines as RIPK1 inhibitors and uses thereof | 赛诺菲 | 2023-08-04 | — | — | CN | claimed |
| CN-116547281-A | Isoxazolidines as RIPK1 inhibitors and uses thereof | 赛诺菲 | 2023-08-04 | — | — | CN | disclosed |
| WO-2022198196-A1 | INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF | MAZE THERAPEUTICS, INC. (US) | 2022-09-22 | — | — | WO | disclosed |
| CN-114685505-A | Imidazopyrrolopyridines as JAK family kinase inhibitors | 詹森药业有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-110312719-B | Imidazopyrrolopyridines as JAK family kinase inhibitors | 詹森药业有限公司 | 2022-04-15 | — | — | CN | disclosed |
| US-11014911-B2 | CDK2 inhibitors | PFIZER INC. (US) | 2021-05-25 | — | — | US | disclosed |
| US-20200247784-A1 | CDK2 INHIBITORS | PFIZER INC. (US) | 2020-08-06 | — | — | US | disclosed |
| WO-2017088738-A1 | MODIFIED COMPOUND OF ANDROGRAPHOLIDE | 南京明德新药研发股份有限公司 | 2017-06-01 | — | — | WO | disclosed |
| US-8754208-B2 | Method of preparing cyclic carbonates, cyclic carbamates, cyclic ureas, cyclic thiocarbonates, cyclic thiocarbamates, and cyclic dithiocarbonates | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2014-06-17 | — | — | US | disclosed |
| US-20130237701-A1 | METHOD OF PREPARING CYCLIC CARBONATES, CYCLIC CARBAMATES, CYCLIC UREAS, CYCLIC THIOCARBONATES, CYCLIC THIOCARBAMATES, AND CYCLIC DITHIOCARBONATES | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2013-09-12 | — | — | US | disclosed |
| US-8476428-B2 | Method of preparing cyclic carbonates, cyclic carbamates, cyclic ureas, cyclic thiocarbonates, cyclic thiocarbamates, and cyclic dithiocarbonates | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2013-07-02 | — | — | US | disclosed |
| US-20120202993-A1 | METHOD OF PREPARING CYCLIC CARBONATES, CYCLIC CARBAMATES, CYCLIC UREAS, CYCLIC THIOCARBONATES, CYCLIC THIOCARBAMATES, AND CYCLIC DITHIOCARBONATES | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2012-08-09 | — | — | US | disclosed |
| US-8178700-B2 | Method of preparing cyclic carbonates, cyclic carbamates, cyclic ureas, cyclic thiocarbonates, cyclic thiocarbamates, and cyclic dithiocarbonates | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2012-05-15 | — | — | US | disclosed |
| US-20100280242-A1 | Method of Preparing Cyclic Carbonates, Cyclic Carbamates, Cyclic Ureas, Cyclic Thiocarbonates, Cyclic Thiocarbamates, and Cyclic Dithiocarbonates | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2010-11-04 | — | — | US | disclosed |
| US-6300458-B1 | High molecular weight polymers and copolymers of BHMDO for biomedical application | VANDENBERG, DAVID J | 2001-10-09 | — | — | US | disclosed |
| US-4244965-A | B-LACTAMASE INHIBITORS AND BACTERICIDES | BEECHAM GROUP LIMITED (GB) | 1981-01-13 | — | — | US | disclosed |