⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16259512 | 0.76 | TAAR1 (0.34) | — | |
| SCHEMBL2187075 | 0.73 | MEN1 (0.30) | — | |
| SCHEMBL96 | 0.70 | — | — | |
| SCHEMBL15193153 | 0.69 | — | — | |
| SCHEMBL11595791 | 0.67 | — | — | |
| SCHEMBL20049880 | 0.65 | S1PR4 (0.32) | — | |
| SCHEMBL1832834 | 0.64 | — | — | |
| SCHEMBL7246447 | 0.63 | CCNE1 (0.31) | — | |
| SCHEMBL5517591 | 0.62 | — | — | |
| SCHEMBL10026830 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001064825-A1 | BLEACHING COMPOSITION AND METHOD FOR BLEACHING LAUNDRY FABRICS | UNILEVER PLC (GB) | 2001-09-07 | — | — | WO | disclosed |