⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3534800 | 0.65 | — | — | |
| SCHEMBL4292713 | 0.56 | TAAR1 (0.35) | — | |
| SCHEMBL15601433 | 0.52 | — | — | |
| SCHEMBL6094248 | 0.47 | — | — | |
| SCHEMBL21613308 | 0.47 | — | — | |
| SCHEMBL23938118 | 0.46 | CCR5 (0.35) | — | |
| SCHEMBL10061329 | 0.45 | — | — | |
| SCHEMBL14813833 | 0.45 | — | — | |
| SCHEMBL17033040 | 0.44 | — | — | |
| SCHEMBL31346942 | 0.42 | CCR5 (0.32) | — |
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-7985745-B2 | Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor | ABBOTT LABORATORIES (US) | 2011-07-26 | — | — | US | disclosed |
| US-20080194538-A1 | Method for Pain Treatment | ABBVIE INC. | 2008-08-14 | — | — | US | disclosed |
| WO-2008060766-A2 | HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT | ABBOTT LABORATORIES (US) | 2008-05-22 | — | — | WO | disclosed |