⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3781135 | 0.63 | — | — | |
| SCHEMBL8608352 | 0.62 | TP53 (0.34) | — | |
| Sulfuric Acid SCHEMBL6416267 | 0.61 | TP53 (0.34) | — | |
| Isopropyl Alcohol SCHEMBL1408797 | 0.61 | LMNA (0.38) | — | |
| SCHEMBL13409413 | 0.61 | — | — | |
| SCHEMBL27472213 | 0.61 | — | — | |
| SCHEMBL1795580 | 0.61 | — | — | |
| SCHEMBL17627834 | 0.61 | NPSR1 (0.35) | — | |
| SCHEMBL11798970 | 0.61 | — | — | |
| SCHEMBL13103905 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5118826-A | Colorfastness | CIBA-GEIGY CORPORATION (US) | 1992-06-02 | — | — | US | disclosed |
| US-5021557-A | Copper-containing formazan dye, colorfast blue shades on cellulose | CIBA-GEIGY CORPORATION (US) | 1991-06-04 | — | — | US | disclosed |