⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL366896 | 1.00 | — | — | |
| SCHEMBL366897 | 1.00 | — | — | |
| Butanal SCHEMBL7636137 | 0.93 | ALDH1A1 (0.55) | — | |
| Butanal SCHEMBL7636134 | 0.93 | ALDH1A1 (0.55) | — | |
| Butanal SCHEMBL17181547 | 0.91 | ALDH1A1 (0.52) | — | |
| SCHEMBL1204900 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL1204904 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL670347 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL9530111 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL670348 | 0.85 | TSHR (0.46) | — |
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-4638409-A1 | PLASTICIZER COMPOUND | BASF SE (DE) | 2025-10-29 | — | — | EP | disclosed |
| EP-3356459-B2 | PLASTICIZER COMPOSITION CONTAINING POLYMERIC DICARBOXYLIC ACID ESTERS AND DICARBOXYLIC ACID DIESTERS | BASF SE (DE) | 2025-09-17 | — | — | EP | disclosed |
| EP-4596616-A2 | PLASTICIZER COMPOSITION CONTAINING POLYMERIC DICARBOXYLIC ACID ESTERS AND DICARBOXYLIC ACID DIESTERS | BASF SE (DE) | 2025-08-06 | — | — | EP | disclosed |
| WO-2024256670-A1 | PLASTICIZER COMPOSITION | BASF SE (DE) | 2024-12-19 | — | — | WO | disclosed |
| WO-2024153687-A1 | METHOD FOR PRODUCING 1,2-CYCLOHEXANE DICARBOXYLIC ACID DIALKYL ESTERS | BASF SE (DE) | 2024-07-25 | — | — | WO | disclosed |
| WO-2024133358-A1 | PLASTICIZER COMPOUND | BASF SE (DE) | 2024-06-27 | — | — | WO | disclosed |
| EP-3356457-B2 | PLASTICIZER COMPOSITION CONTAINING POLYMERIC DICARBOXYLIC ACID ESTERS AND 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTERS | BASF SE (DE) | 2022-12-21 | — | — | EP | disclosed |
| US-20190210940-A1 | Conversion Of Alcohols To Linear And Branched Functionalized Alkanes | ORGANOFUEL SWEDEN AB (SE) | 2019-07-11 | — | — | US | disclosed |
| US-7294745-B2 | Process for preparing aldol derivatives from alkenes using catalyst | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-11-13 | — | — | US | disclosed |
| US-7294745-B2 | Process for preparing aldol derivatives from alkenes using catalyst | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-11-13 | — | — | US | disclosed |
| EP-1133463-B1 | ALDOL CONDENSATION | JOHNSON MATTHEY PLC (GB) | 2004-12-22 | — | — | EP | disclosed |
| US-6586636-B2 | Production of unsaturated aldehydes by the aldol condensation of straight chain aldehydes by contacting in vapor phase with catalyst comprising basic alkali metal compound supported on inert substrate | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 2003-07-01 | — | — | US | disclosed |
| US-20010044558-A1 | Production of unsaturated aldehydes by the aldol condensation of straight chain aldehydes by contacting in vapor phase with catalyst comprising basic alkali metal compound supported on inert substrate | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 2001-11-22 | — | — | US | disclosed |
| EP-1133463-A1 | ALDOL CONDENSATION | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000031011-A1 | ALDOL CONDENSATION | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 2000-06-02 | — | — | WO | disclosed |