⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24299777 | 1.00 | — | — | |
| SCHEMBL9419877 | 1.00 | — | — | |
| SCHEMBL14299387 | 1.00 | — | — | |
| SCHEMBL13428769 | 1.00 | — | — | |
| SCHEMBL14543908 | 1.00 | — | — | |
| SCHEMBL18947966 | 0.83 | — | — | |
| SCHEMBL16253816 | 0.81 | PPARG (0.41) | — | |
| SCHEMBL798189 | 0.81 | — | — | |
| SCHEMBL10192955 | 0.81 | PPARG (0.41) | — | |
| SCHEMBL7073737 | 0.81 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376683-B1 | ESTERIFICATION OF MALIC ACID WITH ALCOHOL; REDUCTION; CYCLIZATION | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2002-04-23 | — | — | US | claimed |
| EP-0604483-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 4-HYDROXYTETRAHYDRO-2-PYRANONE DERIVATIVES | ZENECA LIMITED (GB) | 1994-07-06 | — | — | EP | claimed |
| WO-1993006235-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 4-HYDROXYTETRAHYDRO-2-PYRANONE DERIVATIVES | ZENECA LIMITED (GB) | 1993-04-01 | — | — | WO | claimed |
| WO-2011064249-A1 | SYNTHESIS OF ACETOXYACETALDEHYDE | LEK PHARMACEUTICALS D.D. (SI) | 2011-06-03 | — | — | WO | disclosed |
| US-6376683-B1 | ESTERIFICATION OF MALIC ACID WITH ALCOHOL; REDUCTION; CYCLIZATION | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2002-04-23 | — | — | US | disclosed |
| US-6376683-B1 | ESTERIFICATION OF MALIC ACID WITH ALCOHOL; REDUCTION; CYCLIZATION | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2002-04-23 | — | — | US | disclosed |
| US-5443970-A | SEPARATION OF ISOMERS IN A MIXTURE BY SELECTIVE REACTION | ZENECA LIMITED (GB) | 1995-08-22 | — | — | US | disclosed |
| EP-0604483-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 4-HYDROXYTETRAHYDRO-2-PYRANONE DERIVATIVES | ZENECA LIMITED (GB) | 1994-07-06 | — | — | EP | disclosed |
| WO-1993006235-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 4-HYDROXYTETRAHYDRO-2-PYRANONE DERIVATIVES | ZENECA LIMITED (GB) | 1993-04-01 | — | — | WO | disclosed |
| EP-0469480-A2 | Process for stereoselective preparation of 5-substituted delta-lactones and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-02-05 | — | — | EP | disclosed |