⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4558042 | 0.94 | — | — | |
| SCHEMBL4320068 | 0.92 | — | — | |
| SCHEMBL805070 | 0.86 | — | — | |
| SCHEMBL774959 | 0.84 | ALDH3A1 (0.33) | — | |
| SCHEMBL775644 | 0.80 | ALDH3A1 (0.34) | — | |
| SCHEMBL799060 | 0.79 | — | — | |
| SCHEMBL4558051 | 0.79 | — | — | |
| SCHEMBL2003289 | 0.79 | — | — | |
| SCHEMBL4318250 | 0.75 | — | — | |
| SCHEMBL773491 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090137773-A1 | Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Forming Foams, and Foam Stabilizers | ASEPSIS, INC. | 2009-05-28 | — | — | US | disclosed |