⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3448840 | 0.90 | — | — | |
| SCHEMBL3448620 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL3448463 | 0.86 | — | — | |
| SCHEMBL6015058 | 0.84 | CCR1 (0.33) | — | |
| SCHEMBL3452052 | 0.81 | — | — | |
| SCHEMBL3449382 | 0.80 | — | — | |
| SCHEMBL3449577 | 0.77 | HRH2 (0.36) | — | |
| SCHEMBL6014990 | 0.76 | NPC1 (0.39) | — | |
| SCHEMBL3448869 | 0.76 | HRH2 (0.33) | — | |
| SCHEMBL3449806 | 0.76 | HRH2 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7820673-B2 | Urea derivative, process for producing the same, and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-10-26 | — | — | US | disclosed |
| US-20070093501-A1 | Urea derivative, process for producing the same, and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-04-26 | — | — | US | disclosed |
| EP-1695961-A1 | UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE | Takeda Pharmaceutical Company Limited (JP) | 2006-08-30 | — | — | EP | disclosed |