⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27580909 | 0.82 | MAOA (0.37) | — | |
| SCHEMBL284141 | 0.79 | APLNR (0.55) | — | |
| SCHEMBL101218 | 0.79 | DGAT1 (0.46) | — | |
| Potassium SCHEMBL29554503 | 0.77 | DGAT1 (0.44) | — | |
| SCHEMBL9409065 | 0.77 | — | — | |
| SCHEMBL303868 | 0.77 | — | — | |
| SCHEMBL1522412 | 0.77 | DGAT1 (0.44) | — | |
| SCHEMBL17960 | 0.77 | — | — | |
| SCHEMBL6272856 | 0.77 | DGAT1 (0.44) | — | |
| SCHEMBL303867 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104010638-A | Magnetic Composition, And Method For Producing Same | IHI CORP | 2014-08-27 | — | — | CN | disclosed |
| US-8067526-B2 | Method for producing polyoxalkylene derivative | NOF CORPORATION (JP) | 2011-11-29 | — | — | US | disclosed |
| US-20100256325-A1 | METHOD FOR PRODUCING POLYOXALKYLENE DERIVATIVE | NOF CORPORATION (JP) | 2010-10-07 | — | — | US | disclosed |