⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12555522 | 0.77 | CYP4F2 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL28095790 | 0.77 | FAAH (0.32) | — | |
| SCHEMBL6823924 | 0.77 | ELANE (0.33) | — | |
| SCHEMBL4676532 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL17491673 | 0.73 | ALOX15 (0.33) | — | |
| SCHEMBL28852982 | 0.71 | ALOX15 (0.32) | — | |
| SCHEMBL27603426 | 0.71 | — | — | |
| SCHEMBL10758697 | 0.70 | ABCB11 (0.33) | — | |
| SCHEMBL31549892 | 0.70 | PKM (0.31) | — | |
| SCHEMBL21877844 | 0.69 | — | — |
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-4446269-A | Solvents of carboxyl ester compounds and fluoropolymers | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-05-01 | — | — | US | disclosed |
| US-4414280-A | PERFLUORINATED COPOLYMERS FROM TETRAFLUOROETHYLENE AND PERFLUORINATED SULFONYL FLUORIDE- OR CARBOXY-CONTAINING VINYL MONOMERS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1983-11-08 | — | — | US | disclosed |
| US-4348310-A | MEMBRANES FOR REVERSE OSMOSIS, DIALYSIS, AND ELECTROLYSIS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-09-07 | — | — | US | disclosed |