⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL14672657 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL30360159 | 0.81 | MEN1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL503685 | 0.81 | FDPS (0.35) | — | |
| SCHEMBL1931517 | 0.79 | MEN1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL14672584 | 0.78 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL30639258 | 0.78 | FDPS (0.37) | — | |
| SCHEMBL17752921 | 0.78 | MEN1 (0.43) | — | |
| SCHEMBL22313673 | 0.78 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL14672652 | 0.77 | MEN1 (0.33) | — | |
| Bromide SCHEMBL3791302 | 0.77 | MEN1 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120157579-A1 | Azolium Ionomer Derivatives of Halogenated Polymers | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2012-06-21 | — | — | US | claimed |
| WO-2012075574-A1 | AZOLIUM IONOMER DERIVATIVES OF HALOGENATED POLYMERS | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2012-06-14 | — | — | WO | claimed |
| US-20120157579-A1 | Azolium Ionomer Derivatives of Halogenated Polymers | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2012-06-21 | — | — | US | disclosed |
| WO-2012075574-A1 | AZOLIUM IONOMER DERIVATIVES OF HALOGENATED POLYMERS | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2012-06-14 | — | — | WO | disclosed |