⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16259139 | 0.78 | CES2 (0.33) | — | |
| SCHEMBL12463565 | 0.78 | — | — | |
| SCHEMBL11596428 | 0.76 | — | — | |
| SCHEMBL15819854 | 0.72 | CHRM3 (0.43) | — | |
| SCHEMBL4566089 | 0.71 | — | — | |
| SCHEMBL6548346 | 0.71 | CYP3A4 (0.46) | — | |
| SCHEMBL5906945 | 0.70 | PTPN1 (0.50) | — | |
| SCHEMBL20909482 | 0.69 | ALDH1A1 (0.55) | — | |
| SCHEMBL43992 | 0.69 | — | — | |
| Acetic Acid SCHEMBL5156006 | 0.68 | PTPN1 (0.49) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115433194-B | Synthesis method of hexahydro-3 aH-furan [2,3-c ] pyrrole-3 a-carboxylic acid methyl ester derivative | 上海毕得医药科技股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| US-20230174551-A1 | CONDENSED ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES | BASF SE (DE) | 2023-06-08 | — | — | US | disclosed |
| CN-115433194-A | Synthetic method of hexahydro-3 aH-furan [2,3-c ] pyrrole-3 a-carboxylic acid methyl ester derivative | 上海毕得医药科技股份有限公司 | 2022-12-06 | — | — | CN | disclosed |
| WO-2021224040-A1 | CONDENSED ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES | BASF SE (DE) | 2021-11-11 | — | — | WO | disclosed |
| EP-1250330-B1 | PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS | EASTMAN CHEM CO (US) | 2004-01-07 | — | — | EP | disclosed |
| EP-1250330-A1 | PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS | EASTMAN CHEMICAL COMPANY (US) | 2002-10-23 | — | — | EP | disclosed |
| WO-2001055127-A1 | PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS | EASTMAN CHEMICAL COMPANY (US) | 2001-08-02 | — | — | WO | disclosed |
| US-6184394-B1 | ALKYL 3-FUROATES FROM 4-ACYL-2,3-DIHYDROFURANS FROM 4-ACYL-2,3-DIHYDRO-FURANS BY HALOGENATING IN THE PRESENCE OF AN ALKANOL FOLLOWED BY CONTACTING WITH A STRONG BASE; DRUGS; ANTINFLAMMATORY AND -FOULING AGENTS | EASTMAN CHEMICAL COMPANY | 2001-02-06 | — | — | US | disclosed |
| US-5621105-A | REACTING HALO-SUBSTITUTED QUINOLONECARBOXYLIC ACID OR NAPHTHYRIDONECARBOXYLIC ACID WITH 1-AMINOMETHYL-2-OXA-7-AZABICYCLO/3.3.0/OCTANE | BAYER AKTIENGESELLSCHAFT (DE) | 1997-04-15 | — | — | US | disclosed |
| US-5574161-A | GRAMPOSITIVE BACTERICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-12 | — | — | US | disclosed |
| US-5395944-A | Bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 1995-03-07 | — | — | US | disclosed |