⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL765792 | 1.00 | — | — | |
| SCHEMBL1016465 | 1.00 | — | — | |
| SCHEMBL8003221 | 0.92 | — | — | |
| SCHEMBL1017304 | 0.92 | — | — | |
| SCHEMBL5853223 | 0.90 | ALDH1A1 (0.43) | — | |
| SCHEMBL5854733 | 0.90 | ALDH1A1 (0.43) | — | |
| SCHEMBL1017052 | 0.90 | ALDH1A1 (0.43) | — | |
| SCHEMBL5853219 | 0.90 | ALDH1A1 (0.43) | — | |
| SCHEMBL7119152 | 0.90 | ALDH1A1 (0.43) | — | |
| SCHEMBL5854738 | 0.90 | ALDH1A1 (0.43) | — |
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-8129552-B2 | for transporting drugs or as gene transport vehicles, as solubilizers for drugs of low solubility in water, and themselves as active ingredients against diseases such as cancer or leishmaniosis; (Z)-6-octadecenyl-1-phospho-N,N,N-trimethylpropylammonium | MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2012-03-06 | — | — | US | disclosed |
| WO-2004094452-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |