⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10544540 | 0.97 | GPR84 (0.41) | — | |
| SCHEMBL9817830 | 0.97 | GPR84 (0.41) | — | |
| SCHEMBL10539982 | 0.97 | GPR84 (0.41) | — | |
| SCHEMBL3713286 | 0.97 | GPR84 (0.41) | — | |
| SCHEMBL7032114 | 0.97 | GPR84 (0.41) | — | |
| SCHEMBL4629530 | 0.92 | — | — | |
| SCHEMBL4447269 | 0.83 | OPRM1 (0.48) | — | |
| SCHEMBL23951461 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL18722590 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL2854096 | 0.80 | DNM1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010094721-A1 | PIPERIDIN-PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H4 RECEPTOR | PALAU PHARMA, S. A. (ES) | 2010-08-26 | — | — | WO | disclosed |
| US-4824955-A | ANTITUMOR AGENTS | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1989-04-25 | — | — | US | disclosed |
| EP-0222414-A2 | Novel organic selenium compounds | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1987-05-20 | — | — | EP | disclosed |