⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9400229 | 1.00 | — | — | |
| SCHEMBL3174382 | 0.82 | ALDH1A1 (0.48) | — | |
| SCHEMBL3170812 | 0.82 | ALDH1A1 (0.48) | — | |
| SCHEMBL1484777 | 0.82 | ALDH1A1 (0.48) | — | |
| SCHEMBL13099811 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL15866675 | 0.75 | — | — | |
| SCHEMBL6036832 | 0.72 | — | — | |
| SCHEMBL6036830 | 0.72 | — | — | |
| Ethyl Acetate SCHEMBL30107667 | 0.71 | — | — | |
| SCHEMBL513885 | 0.69 | — | — |
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-5294708-A | Antidiabetic agents | MCNEILAB, INC. (US) | 1994-03-15 | — | — | US | disclosed |
| US-5268373-A | Containing a benzene ring | MCNEILAB, INC. (US) | 1993-12-07 | — | — | US | disclosed |
| US-4685958-A | Sulfonamides derived from substituted 2-amino-1,2,4-triazolo[1,5-a]-1,3,5-triazines and compositions and methods of controlling undesired vegetation | THE DOW CHEMICAL COMPANY (US) | 1987-08-11 | — | — | US | disclosed |