⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4661861 | 0.93 | RAPGEF4 (0.30) | — | |
| Bromide SCHEMBL12481603 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28521740 | 0.72 | CYP1A2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28408398 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28766395 | 0.70 | NOS3 (0.30) | — | |
| SCHEMBL17583809 | 0.69 | ACHE (0.39) | — | |
| SCHEMBL1883405 | 0.68 | HRH3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL27995882 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL1883408 | 0.66 | PON1 (0.35) | — | |
| SCHEMBL2827554 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9334297-B2 | Chiral imidazolium salts for asymmetric catalysis | NORTHWESTERN UNIVERSITY (US) | 2016-05-10 | — | — | US | disclosed |
| US-20160075728-A1 | Chiral Imidazolium Salts for Asymmetric Catalysis | NATIONAL SCIENCE FOUNDATION | 2016-03-17 | — | — | US | disclosed |