⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL798897 | 0.85 | — | — | |
| SCHEMBL20499363 | 0.84 | — | — | |
| SCHEMBL799419 | 0.81 | FAAH (0.32) | — | |
| SCHEMBL799058 | 0.80 | APLNR (0.31) | — | |
| SCHEMBL287706 | 0.78 | APLNR (0.31) | — | |
| SCHEMBL3103551 | 0.78 | — | — | |
| SCHEMBL776557 | 0.74 | PTGS1 (0.38) | — | |
| SCHEMBL775126 | 0.74 | — | — | |
| SCHEMBL18631359 | 0.72 | — | — | |
| SCHEMBL14814735 | 0.70 | APLNR (0.31) | — |
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-8318656-B2 | 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 (US) | 2012-11-27 | — | — | US | disclosed |
| 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 |