⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4994623 | 0.72 | — | — | |
| SCHEMBL1872293 | 0.68 | — | — | |
| SCHEMBL611093 | 0.61 | — | — | |
| SCHEMBL9600238 | 0.60 | — | — | |
| SCHEMBL7831061 | 0.59 | — | — | |
| SCHEMBL28455772 | 0.59 | — | — | |
| SCHEMBL15321448 | 0.58 | — | — | |
| SCHEMBL1866638 | 0.57 | — | — | |
| SCHEMBL29603314 | 0.57 | — | — | |
| SCHEMBL17955312 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009134726-A1 | SUBSTITUTED PYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2009-11-05 | — | — | WO | disclosed |