⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7521700 | 0.66 | TRPA1 (0.39) | — | |
| SCHEMBL7521698 | 0.66 | TRPA1 (0.39) | — | |
| SCHEMBL4128667 | 0.65 | THRB (0.32) | — | |
| SCHEMBL98364 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL7922157 | 0.64 | TRPA1 (0.38) | — | |
| SCHEMBL30272404 | 0.63 | ALDH1A1 (0.32) | — | |
| Iodide SCHEMBL4435737 | 0.63 | ALDH1A1 (0.32) | — | |
| Bromide SCHEMBL17335765 | 0.63 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL3908734 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL9317644 | 0.61 | LMNA (0.36) | — |
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-20090137045-A1 | Pyridinium Cationic Lipids as Gene Transfer Agents | BALABAN ALEXANDRU T | 2009-05-28 | — | — | US | disclosed |
| US-7456197-B2 | Pyridinium cationic lipids as gene transfer agents | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2008-11-25 | — | — | US | disclosed |
| US-20050196863-A1 | Pyridinium cationic lipids as gene transfer agents | TEXAS A & M UNIVERSITY, THE | 2005-09-08 | — | — | US | disclosed |