⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL785800 | 0.87 | LMNA (0.33) | — | |
| SCHEMBL786055 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL186571 | 0.84 | RECQL (0.38) | — | |
| SCHEMBL786308 | 0.82 | LPO (0.30) | — | |
| SCHEMBL785948 | 0.81 | LMNA (0.30) | — | |
| SCHEMBL785768 | 0.78 | ALDH1A1 (0.35) | — | |
| Bromide SCHEMBL15258659 | 0.76 | LPO (0.30) | — | |
| Bromide SCHEMBL7150172 | 0.72 | LPO (0.34) | — | |
| SCHEMBL2292204 | 0.71 | MEN1 (0.33) | — | |
| Bromide SCHEMBL186227 | 0.71 | MEN1 (0.32) | — |
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-8785655-B2 | Ionic liquid solvents | DUBLIN CITY UNIVERSITY (IE) | 2014-07-22 | — | — | US | disclosed |
| US-20120071661-A1 | Ionic Liquid Solvents | DUBLIN CITY UNIVERSITY (IE) | 2012-03-22 | — | — | US | disclosed |