⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3627580 | 1.00 | — | — | |
| SCHEMBL6481787 | 1.00 | — | — | |
| SCHEMBL93751 | 1.00 | — | — | |
| SCHEMBL93753 | 1.00 | — | — | |
| SCHEMBL731324 | 0.95 | TRPA1 (0.56) | — | |
| SCHEMBL21831066 | 0.95 | TRPA1 (0.56) | — | |
| SCHEMBL13660441 | 0.95 | TRPA1 (0.56) | — | |
| SCHEMBL731323 | 0.95 | TRPA1 (0.56) | — | |
| SCHEMBL6472914 | 0.84 | — | — | |
| SCHEMBL17530753 | 0.84 | — | — |
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-6861260-B2 | Lipid membrane, method for measuring membrane permeability, and method for screening | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-03-01 | — | — | US | disclosed |
| US-20030111406-A1 | A membrane containing an unsaturated C7-C9 hydrocarbon and a lipid; suitable for rapid measurement | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-06-19 | — | — | US | disclosed |
| EP-1266684-A1 | LIPID MEMBRANE, METHOD FOR MEASURING MEMBRANE PERMEABILITY, AND METHOD FOR SCREENING | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-12-18 | — | — | EP | disclosed |