⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14279040 | 0.85 | — | — | |
| SCHEMBL13859825 | 0.78 | — | — | |
| SCHEMBL14293678 | 0.75 | — | — | |
| SCHEMBL10309560 | 0.73 | — | — | |
| SCHEMBL13859646 | 0.72 | — | — | |
| SCHEMBL799061 | 0.71 | — | — | |
| SCHEMBL799429 | 0.71 | — | — | |
| SCHEMBL799151 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL799501 | 0.69 | — | — | |
| SCHEMBL9909850 | 0.68 | TSHR (0.30) | — |
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-20120071689-A1 | PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS | E.I. DU PONT DE NEMOURS AND COMPANY CHEMTURA CORPORATION (US) | 2012-03-22 | — | — | US | disclosed |