⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4800118 | 1.00 | — | — | |
| SCHEMBL4800126 | 1.00 | — | — | |
| Methyl Alcohol SCHEMBL7551458 | 0.97 | HCAR2 (0.43) | — | |
| SCHEMBL16748350 | 0.77 | — | — | |
| SCHEMBL11407741 | 0.77 | — | — | |
| SCHEMBL11407739 | 0.77 | — | — | |
| SCHEMBL7848630 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL7848633 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL14225485 | 0.75 | HCAR2 (0.53) | — | |
| SCHEMBL273328 | 0.75 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0735032-B1 | Method for preparing 5-hydroxy-4-methyl-2(5H)-furanone | BASF AG (DE) | 2002-06-19 | — | — | EP | claimed |
| EP-0735032-A2 | Method for preparing 5-hydroxy-4-methyl-2(5H)-furanone | BASF AKTIENGESELLSCHAFT (DE) | 1996-10-02 | — | — | EP | claimed |
| WO-2022145617-A1 | METHOD FOR SYNTHESIZING NOVEL COMPOUNDS POTASSIUM ALL-TRANS RETINOATE AND POTASSIUM 9-CIS RETINOATE, AND PHARMACEUTICAL COMPOSITION FOR CARDIOVASCULAR TREATMENT COMPRISING SAME | (주)아크에이르 | 2022-07-07 | — | — | WO | disclosed |
| EP-0735032-B1 | Method for preparing 5-hydroxy-4-methyl-2(5H)-furanone | BASF AG (DE) | 2002-06-19 | — | — | EP | disclosed |
| EP-0659739-B1 | Process for the preparation of 9-(Z) retinoic acid | BASF AG (DE) | 1997-09-24 | — | — | EP | disclosed |
| EP-0735032-A2 | Method for preparing 5-hydroxy-4-methyl-2(5H)-furanone | BASF AKTIENGESELLSCHAFT (DE) | 1996-10-02 | — | — | EP | disclosed |
| US-5471004-A | Subjecting an allyl-hexamethylenetetraammonium derivative to hydrolysis | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-28 | — | — | US | disclosed |
| EP-0659739-A1 | Process for the preparation of 9-(Z) retinoic acid | BASF Aktiengesellschaft (DE) | 1995-06-28 | — | — | EP | disclosed |
| EP-0421271-B1 | 3-Substituted-2-hydroxy-3-formyle propionic acid esters, process for their preparation and their use in the preparation of 3-substituted-3-formyle acrylic acid esters | BASF AG (DE) | 1993-12-08 | — | — | EP | disclosed |
| US-5256813-A | 3-substituted 2-hydroxy-3-formylpropionic esters, the preparation thereof and the use thereof for preparing 3-substituted 3-formylacrylic esters | BASF AKTIENGESELLSCHAFT (DE) | 1993-10-26 | — | — | US | disclosed |
| US-5202461-A | 3-SUBSTITUTED 2-HYDROXY-3-FORMYLPROPIONIC ESTERS, THE PREPARATION THEREOF AND THE USE THEREOF FOR PREPARING 3-SUBSTITUTED 3-FORMYLACRYLIC ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-13 | — | — | US | disclosed |
| EP-0421271-A2 | 3-Substituted-2-hydroxy-3-formyle propionic acid esters, process for their preparation and their use in the preparation of 3-substituted-3-formyle acrylic acid esters | BASF Aktiengesellschaft (DE) | 1991-04-10 | — | — | EP | disclosed |
| EP-0021013-B1 | 2,4-DISUBSTITUTED PYRAN DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS PERFUMING AGENTS | BASF Aktiengesellschaft (DE) | 1982-10-13 | — | — | EP | disclosed |
| US-4292244-A | Novel 2,4-disubstituted pyran derivatives, their preparation and their use as scents | BASF AKTIENGESELLSCHAFT (DE) | 1981-09-29 | — | — | US | disclosed |
| EP-0021013-A1 | 2,4-Disubstituted pyran derivatives, their preparation and their application as perfuming agents | BASF Aktiengesellschaft (DE) | 1981-01-07 | — | — | EP | disclosed |