⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23071411 | 0.67 | — | — | |
| SCHEMBL6561346 | 0.67 | — | — | |
| SCHEMBL391900 | 0.63 | — | — | |
| SCHEMBL3713907 | 0.62 | — | — | |
| SCHEMBL23943299 | 0.55 | — | — | |
| SCHEMBL11519202 | 0.55 | ALDH1A1 (0.50) | — | |
| SCHEMBL11515656 | 0.55 | ALDH1A1 (0.45) | — | |
| SCHEMBL9988324 | 0.54 | — | — | |
| SCHEMBL13773531 | 0.54 | — | — | |
| SCHEMBL11628792 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1092710-B1 | Alkylated aminoalkyl cyclic urea surfactants | AIR PROD & CHEM (US) | 2004-05-12 | — | — | EP | disclosed |
| US-6288151-B1 | Alkylated aminoalkyl cyclic urea surfactants | AIR PRODUCTS AND CHEMICALS, INC. | 2001-09-11 | — | — | US | disclosed |
| EP-1092710-A1 | Alkylated aminoalkyl cyclic urea surfactants | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-04-18 | — | — | EP | disclosed |