⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4100092 | 0.90 | — | — | |
| SCHEMBL4104379 | 0.86 | HRH4 (0.31) | — | |
| SCHEMBL4109637 | 0.74 | HRH4 (0.46) | — | |
| SCHEMBL3843079 | 0.72 | DRD4 (0.34) | — | |
| SCHEMBL4093788 | 0.72 | HRH4 (0.33) | — | |
| SCHEMBL4093770 | 0.71 | HRH4 (0.33) | — | |
| SCHEMBL6155692 | 0.66 | HRH4 (0.42) | — | |
| SCHEMBL4103842 | 0.66 | — | — | |
| SCHEMBL5981666 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL5982968 | 0.63 | MEN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090069343-A1 | Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus | DUNFORD PAUL J | 2009-03-12 | — | — | US | disclosed |