⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10815521 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL10815524 | 0.72 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL10813591 | 0.71 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL10810433 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL10815382 | 0.68 | — | — | |
| SCHEMBL10809397 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL18517072 | 0.56 | MEN1 (0.31) | — | |
| SCHEMBL12753841 | 0.56 | MEN1 (0.36) | — | |
| SCHEMBL14181850 | 0.55 | MAPT (0.35) | — | |
| SCHEMBL9492171 | 0.52 | ALDH1A1 (0.41) | — |
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 |