⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15259526 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL320546 | 0.80 | — | — | |
| SCHEMBL28468134 | 0.78 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL24072865 | 0.78 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL1557617 | 0.78 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL7105090 | 0.78 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL186433 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL7037901 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL774101 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL1878449 | 0.77 | TSHR (0.43) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63198998-A | — | — | None | — | — | JP | disclosed |
| CN-117222625-A | Substituted pyridazinones, salts or N-oxides thereof and their use as herbicidal agents | 拜耳公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-115697062-A | Selective herbicides based on substituted isoxazoline carboxamides and bisbenzoxazoic acids | 拜耳公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-115666246-A | Selective herbicides based on substituted isoxazoline carboxamides and oxadiazons | 拜耳公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-106029890-B | Plants with enhanced tolerance to herbicides | 巴斯夫农业公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-105637091-B | Plants with enhanced tolerance to herbicides | 巴斯夫农业公司 | 2021-11-16 | — | — | CN | disclosed |
| CN-104662155-B | Plants with enhanced tolerance to herbicides | 巴斯夫农业公司 | 2020-11-27 | — | — | CN | disclosed |
| CN-106883238-A | A kind of preparation method of α aza toroids compound | 贵州医科大学 | 2017-06-23 | — | — | CN | disclosed |
| EP-2382218-A1 | DELTA-5-DESATURASE INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2011-11-02 | — | — | EP | disclosed |
| WO-2010087467-A1 | DELTA-5-DESATURASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-05 | — | — | WO | disclosed |
| US-20100190747-A1 | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-29 | — | — | US | disclosed |
| US-6583126-B2 | Treating diabetes, obesity, and diabetes-related diseases. | MERCK EROSST CANADA & CO. | 2003-06-24 | — | — | US | disclosed |
| EP-0900803-B1 | PROCESS FOR THE PREPARATION OF 1-ALKOXY-1-TRIMETHYLSILYLOXYCYCLOPROPANES | IHARA CHEMICAL IND CO (JP) | 2003-03-26 | — | — | EP | disclosed |
| EP-1242432-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-09-25 | — | — | EP | disclosed |
| US-20020052344-A1 | Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) | MERCK FROSST CANADA LTD. (CA) | 2002-05-02 | — | — | US | disclosed |
| WO-2001046205-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |
| US-5994572-A | REACTING MICROGRANULAR METALLIC SODIUM DISPERSED IN A HYDROCARBON SOLVENT WITH A BETA-HALOGENOCARBOXYLIC ACID ESTER | IHARA CHEMICAL INDUSTRY CO., LTD (JP) | 1999-11-30 | — | — | US | disclosed |
| EP-0900803-A1 | PROCESS FOR THE PREPARATION OF 1-ALKOXY-1-TRIMETHYLSILYLOXYCYCLOPROPANES | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 1999-03-10 | — | — | EP | disclosed |
| JP-S63198998-A | OPTICALLY ACTIVE CARBOXYLIC ACID AND PRODUCTION OF ANTIPODE ESTER THEREOF | MITSUBISHI RAYON CO LTD | 1988-08-17 | — | — | JP | disclosed |