⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6728734 | 0.75 | — | — | |
| SCHEMBL5122280 | 0.75 | — | — | |
| SCHEMBL17922739 | 0.70 | — | — | |
| SCHEMBL891416 | 0.67 | — | — | |
| SCHEMBL246207 | 0.67 | — | — | |
| SCHEMBL727026 | 0.67 | — | — | |
| SCHEMBL2805773 | 0.67 | — | — | |
| SCHEMBL3077790 | 0.67 | — | — | |
| SCHEMBL104463 | 0.67 | — | — | |
| SCHEMBL27541122 | 0.67 | ALDH1A1 (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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2000501738-A | — | — | 2000-02-15 | — | — | JP | claimed |
| US-5912366-A | CHEMICAL INTERMEDIATES FOR GEMCITABINE AN ANTITUMOR AGENT | ELI LILLY AND COMPANY (US) | 1999-06-15 | — | — | US | claimed |
| US-5756775-A | Process to make α,α-difluoro-β-hydroxyl thiol esters | ELI LILLY AND COMPANY (US) | 1998-05-26 | — | — | US | claimed |
| WO-1997021719-A1 | α, α-DIFLUORO-β-HYDROXY THIOL ESTERS AND THEIR SYNTHESIS | ELI LILLY AND COMPANY (US) | 1997-06-19 | — | — | WO | claimed |
| EP-0779275-A2 | Alpha, Alpha - Difluoro-beta -hydroxy thiol esters and their synthesis | ELI LILLY AND COMPANY (US) | 1997-06-18 | — | — | EP | claimed |
| EP-3081559-B1 | AROMATIC COMPOUND AND APPLICATION FOR SAME | SUMITOMO CHEMICAL CO (JP) | 2019-05-15 | — | — | EP | disclosed |
| US-9573904-B2 | Aromatic compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-02-21 | — | — | US | disclosed |
| US-20160311775-A1 | AROMATIC COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-10-27 | — | — | US | disclosed |
| EP-3081559-A1 | AROMATIC COMPOUND AND APPLICATION FOR SAME | Sumitomo Chemical Company, Limited (JP) | 2016-10-19 | — | — | EP | disclosed |
| EP-1467992-B1 | ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES | PHARMACIA & UPJOHN CO LLC (US) | 2007-08-08 | — | — | EP | disclosed |
| US-7141570-B2 | N-aryl-2-oxazolidinone-5-carboxamides and their derivatives | PHARMACIA & UPJOHN COMPANY (US) | 2006-11-28 | — | — | US | disclosed |
| EP-1565186-B1 | N-(4-(PIPERAZIN-1-YL)-PHENYL-2-OXAZOLIDINONE-5-CARBOXAMIDE DERIVATES AND RELATED COMPOUNDS AS ANTIBACTERIAL AGENTS | PHARMACIA & UPJOHN CO LLC (US) | 2006-11-02 | — | — | EP | disclosed |
| WO-1997035845-A1 | SUBSTITUTED 1-METHYL-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1997-10-02 | — | — | WO | disclosed |
| WO-1997021719-A1 | α, α-DIFLUORO-β-HYDROXY THIOL ESTERS AND THEIR SYNTHESIS | ELI LILLY AND COMPANY (US) | 1997-06-19 | — | — | WO | disclosed |
| WO-1997021719-A1 | α, α-DIFLUORO-β-HYDROXY THIOL ESTERS AND THEIR SYNTHESIS | ELI LILLY AND COMPANY (US) | 1997-06-19 | — | — | WO | disclosed |
| EP-0779275-A2 | Alpha, Alpha - Difluoro-beta -hydroxy thiol esters and their synthesis | ELI LILLY AND COMPANY (US) | 1997-06-18 | — | — | EP | disclosed |
| EP-0779275-A2 | Alpha, Alpha - Difluoro-beta -hydroxy thiol esters and their synthesis | ELI LILLY AND COMPANY (US) | 1997-06-18 | — | — | EP | disclosed |
| WO-1997001543-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-16 | — | — | WO | disclosed |
| EP-0677527-A1 | Process for preparing 2,2-difluoroketene silyl O,S-acetals and alpha, alpha-difluoro-beta-silyloxy-1,3-dioxolane-4-propanoic acid O,S-esters | ELI LILLY AND COMPANY (US) | 1995-10-18 | — | — | EP | disclosed |
| US-5428176-A | Contacting a difluorothioacetate with a halosilane in presence of reducing agent | ELI LILLY AND COMPANY (US) | 1995-06-27 | — | — | US | disclosed |