⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5705022 | 0.80 | — | — | |
| SCHEMBL5705020 | 0.80 | — | — | |
| SCHEMBL686422 | 0.74 | — | — | |
| SCHEMBL17813824 | 0.72 | ALDH1A1 (0.49) | — | |
| SCHEMBL4056952 | 0.71 | MEN1 (0.53) | — | |
| SCHEMBL17813784 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL2589796 | 0.70 | MEN1 (0.68) | — | |
| SCHEMBL2589792 | 0.70 | MEN1 (0.68) | — | |
| Bromide SCHEMBL11180829 | 0.69 | MEN1 (0.66) | — | |
| SCHEMBL2587984 | 0.69 | MEN1 (0.55) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4697020-A | Derivatives of 2,4-thiazolidinedione | CIBA-GEIGY CORPORATION (US) | 1987-09-29 | — | — | US | disclosed |