⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3911858 | 0.84 | CA2 (0.31) | — | |
| SCHEMBL3916305 | 0.77 | NOS2 (0.32) | — | |
| SCHEMBL3918184 | 0.75 | — | — | |
| SCHEMBL3915517 | 0.72 | GNAI3 (0.36) | — | |
| SCHEMBL3908993 | 0.72 | — | — | |
| SCHEMBL3911408 | 0.72 | SIGMAR1 (0.36) | — | |
| SCHEMBL3921615 | 0.71 | NOS2 (0.34) | — | |
| SCHEMBL1484414 | 0.71 | CA2 (0.38) | — | |
| SCHEMBL17912781 | 0.68 | CA2 (0.35) | — | |
| SCHEMBL2323608 | 0.68 | ALDH1A1 (0.36) | — |
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 |