⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9525131 | 0.86 | ELANE (0.33) | — | |
| SCHEMBL9526958 | 0.86 | PTGER4 (0.30) | — | |
| SCHEMBL9526202 | 0.86 | — | — | |
| SCHEMBL9525864 | 0.85 | — | — | |
| SCHEMBL9524683 | 0.83 | — | — | |
| SCHEMBL9529709 | 0.74 | CDK4 (0.32) | — | |
| SCHEMBL9526110 | 0.72 | BID (0.31) | — | |
| SCHEMBL702652 | 0.71 | LTA4H (0.39) | — | |
| SCHEMBL706842 | 0.68 | LMNA (0.37) | — | |
| SCHEMBL10879018 | 0.67 | HRH1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0419610-B1 | NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-09-15 | — | — | EP | disclosed |