⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22366994 | 0.92 | TSHR (0.44) | — | |
| SCHEMBL3121245 | 0.90 | TSHR (0.48) | — | |
| SCHEMBL7606780 | 0.90 | TSHR (0.48) | — | |
| SCHEMBL17520315 | 0.90 | TSHR (0.48) | — | |
| SCHEMBL18480166 | 0.90 | TSHR (0.48) | — | |
| SCHEMBL11697159 | 0.90 | TSHR (0.48) | — | |
| SCHEMBL1442364 | 0.83 | — | — | |
| Bicarbonate SCHEMBL5508119 | 0.80 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL28457344 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL22366999 | 0.78 | TSHR (0.44) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240150377-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED | 2024-05-09 | — | — | US | disclosed |
| US-20240092731-A1 | CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF | ULTRAGENYX PHARMACEUTICAL INC. | 2024-03-21 | — | — | US | disclosed |
| US-11753369-B2 | Creatine prodrugs, compositions and methods of use thereof | ULTRAGENYX PHARMACEUTICAL INC. (US) | 2023-09-12 | — | — | US | disclosed |
| CN-111417620-B | Creatine prodrugs, compositions thereof, and methods of use | 奥特吉尼克斯制药公司 | 2023-08-25 | — | — | CN | disclosed |
| EP-4225765-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| CN-116601158-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-15 | — | — | CN | disclosed |
| US-11584843-B2 | Olefin-olefinic alcohol copolymer, and preparation method therefor | CHINA PETROLEUM & CHEMICAL CORPORATION BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY (CN) | 2023-02-21 | — | — | US | disclosed |
| US-20220227703-A1 | CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF | ULTRAGENYX PHARMACEUTICAL INC. | 2022-07-21 | — | — | US | disclosed |
| US-11332438-B2 | Creatine prodrugs, compositions and methods of use thereof | ULTRAGENYX PHARMACEUTICAL INC. (US) | 2022-05-17 | — | — | US | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| EP-3702380-A1 | OLEFIN-OLEFINIC ALCOHOL COPOLYMER, AND PREPARATION METHOD THEREFOR | China Petroleum & Chemical Corporation (CN) | 2020-09-02 | — | — | EP | disclosed |
| CN-111417620-A | Creatine prodrugs, compositions thereof, and methods of use | 奥特吉尼克斯制药公司 | 2020-07-14 | — | — | CN | disclosed |
| CN-102365306-A | Polar group-containing copolymer, rubber composition and studless tire | SUMITOMO RUBBER IND | 2012-02-29 | — | — | CN | disclosed |
| US-20080293782-A1 | 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors | NOVARTIS AG (CH) | 2008-11-27 | — | — | US | disclosed |
| EP-1960377-A1 | l , l , 3-TRI0X0-l , 2 , 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS | Novartis AG (CH) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007067614-A1 | l, l, 3-TRI0X0-l, 2, 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS | NOVARTIS AG (CH) | 2007-06-14 | — | — | WO | disclosed |
| EP-0927577-B1 | Ruthenium metathesis catalyst and method for olefin metathesis using the same | TAKASAGO PERFUMERY CO LTD (JP) | 2004-06-23 | — | — | EP | disclosed |
| US-6313365-B1 | Ruthenium metathesis catalyst and method for producing olefin reaction product by metathesis reaction using the same | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2001-11-06 | — | — | US | disclosed |
| US-6175047-B1 | A CATALYST MIXTURE INCLUDING A RUTHENIUM COMPOUND, A DIHALOGENO COMPOUND, A TERMINAL ALKYNE; AS A CATALYST FOR A CARBON-CARBON BOND FORMATION REACTION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0927577-A1 | Ruthenium metathesis catalyst and method for producing olefin reaction product by metathesis reaction using the same | Takasago International Corporation (JP) | 1999-07-07 | — | — | EP | disclosed |