⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14378012 | 0.72 | MMP9 (0.33) | — | |
| SCHEMBL14378055 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL22007692 | 0.71 | — | — | |
| SCHEMBL21133709 | 0.68 | — | — | |
| SCHEMBL9800283 | 0.67 | GRIN1 (0.33) | — | |
| SCHEMBL21133677 | 0.65 | — | — | |
| SCHEMBL6730153 | 0.65 | GRIN1 (0.38) | — | |
| SCHEMBL14554863 | 0.62 | — | — | |
| SCHEMBL14554790 | 0.61 | DUT (0.32) | — | |
| SCHEMBL20980165 | 0.60 | POLB (0.41) | — |
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-10343996-B2 | Quaternary heteroatom containing compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-07-09 | — | — | US | disclosed |