⚠ 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 | |
|---|---|---|---|---|
| Hexanoate SCHEMBL3867 | 1.00 | — | — | |
| Adipic Acid SCHEMBL31546519 | 1.00 | AKR1B1 (1.00) | — | |
| Hexanoate SCHEMBL160301 | 1.00 | AKR1B1 (1.00) | — | |
| Hexanoate SCHEMBL1330703 | 1.00 | — | — | |
| Hexanoate SCHEMBL1332504 | 1.00 | — | — | |
| Hexanoate SCHEMBL4619316 | 1.00 | AKR1B1 (1.00) | — | |
| Hexanoate SCHEMBL28202055 | 1.00 | AKR1B1 (1.00) | — | |
| Hexanoate SCHEMBL27362881 | 1.00 | AKR1B1 (1.00) | — | |
| Adipic Acid SCHEMBL2065667 | 1.00 | AKR1B1 (1.00) | — | |
| Dodecanoate SCHEMBL25293218 | 0.97 | GPR84 (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250128114-A1 | COMPOSITIONS AND PROCESSES FOR REMEDIATING ENVIRONMENTAL CONTAMINANTS | WOODARD & CURRAN (US) | 2025-04-24 | — | — | US | disclosed |
| CN-114787204-B | Method for producing low molecular weight polytetrafluoroethylene | 索尔维特殊聚合物意大利有限公司 | 2024-09-27 | — | — | CN | disclosed |
| CN-114787204-A | Process for the manufacture of low molecular weight polytetrafluoroethylene | 索尔维特殊聚合物意大利有限公司 | 2022-07-22 | — | — | CN | disclosed |