⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5202527 | 0.79 | ENPP2 (0.34) | — | |
| SCHEMBL4380249 | 0.76 | PNMT (0.36) | — | |
| SCHEMBL4491403 | 0.76 | HTR2A (0.33) | — | |
| SCHEMBL2852048 | 0.74 | CYP1A2 (0.45) | — | |
| SCHEMBL4502129 | 0.74 | TAAR1 (0.45) | — | |
| SCHEMBL6011785 | 0.72 | PTGDR2 (0.31) | — | |
| SCHEMBL840464 | 0.71 | ADRB1 (0.45) | — | |
| SCHEMBL9398932 | 0.69 | OPRK1 (0.40) | — | |
| SCHEMBL631423 | 0.68 | CYP3A4 (0.35) | — | |
| SCHEMBL7310726 | 0.68 | IDO1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5614634-A | Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-03-25 | — | — | US | disclosed |
| US-5440044-A | Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-08-08 | — | — | US | disclosed |