⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4097385 | 0.74 | TBXAS1 (0.31) | — | |
| SCHEMBL4094530 | 0.74 | QPCT (0.39) | — | |
| SCHEMBL4263794 | 0.72 | TBXAS1 (0.33) | — | |
| SCHEMBL4089017 | 0.67 | CYP19A1 (0.31) | — | |
| SCHEMBL4094534 | 0.67 | TBXAS1 (0.32) | — | |
| SCHEMBL28943482 | 0.64 | QPCT (0.37) | — | |
| SCHEMBL27872001 | 0.61 | NFKB1 (0.37) | — | |
| SCHEMBL6398854 | 0.61 | EGLN3 (0.40) | — | |
| SCHEMBL28182996 | 0.61 | — | — | |
| SCHEMBL28190132 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2026754-A2 | LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES | Henkel AG & Co. KGaA (DE) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007137676-A2 | LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2007-12-06 | — | — | WO | disclosed |