⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12421887 | 0.81 | — | — | |
| SCHEMBL28186499 | 0.77 | — | — | |
| SCHEMBL12421882 | 0.77 | — | — | |
| SCHEMBL2321378 | 0.75 | CNR1 (0.33) | — | |
| SCHEMBL16889113 | 0.70 | — | — | |
| Diethanolamine SCHEMBL8506349 | 0.68 | TP53 (0.32) | — | |
| Diethanolamine SCHEMBL6649490 | 0.67 | ALDH1A1 (0.37) | — | |
| Diethanolamine SCHEMBL1022769 | 0.65 | CA5A (0.40) | — | |
| Diethanolamine SCHEMBL5874489 | 0.65 | CA5A (0.40) | — | |
| SCHEMBL1435272 | 0.65 | CA12 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4436653-A | NONIONIC SURFACTANTS, AMINE OXIDES | THE PROCTER & GAMBLE COMPANY (US) | 1984-03-13 | — | — | US | disclosed |