⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3919253 | 0.82 | GRIN2D (0.33) | — | |
| SCHEMBL3977589 | 0.74 | NOS1 (0.31) | — | |
| SCHEMBL28477420 | 0.71 | CYP19A1 (0.32) | — | |
| SCHEMBL3980444 | 0.68 | GRIN2D (0.31) | — | |
| SCHEMBL4094534 | 0.66 | TBXAS1 (0.32) | — | |
| SCHEMBL11242250 | 0.63 | CYP19A1 (0.36) | — | |
| SCHEMBL27633634 | 0.61 | — | — | |
| SCHEMBL3985522 | 0.60 | NOS1 (0.32) | — | |
| SCHEMBL4805682 | 0.59 | — | — | |
| SCHEMBL4263794 | 0.58 | TBXAS1 (0.33) | — |
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 |