⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29954914 | 0.79 | PIK3CD (0.46) | — | |
| SCHEMBL2554814 | 0.75 | KDM4E (0.40) | — | |
| SCHEMBL29952073 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL29951581 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL29169584 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL29954441 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL8853018 | 0.70 | CA12 (0.42) | — | |
| SCHEMBL22988369 | 0.68 | — | — | |
| SCHEMBL2385656 | 0.66 | — | — | |
| SCHEMBL16015575 | 0.66 | — | — |
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-20170349543-A1 | CATIONIC SULFONAMIDE AMINO LIPIDS AND AMPHIPHILIC ZWITTERIONIC AMINO LIPIDS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-12-07 | — | — | US | disclosed |