⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL438016 | 0.89 | — | — | |
| SCHEMBL301838 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL2607153 | 0.81 | — | — | |
| SCHEMBL1102336 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL17988372 | 0.81 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL14482126 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL64976 | 0.76 | — | — | |
| SCHEMBL18136218 | 0.73 | DNM1 (0.35) | — | |
| SCHEMBL13100408 | 0.72 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL4164622 | 0.72 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0077114-A1 | Perfluorochemicals, process for preparing the same and their use as blood substitutes | GREEN CROSS CORPORATION (JP) | 1983-04-20 | — | — | EP | disclosed |