⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11735685 | 1.00 | — | — | |
| SCHEMBL5702380 | 0.89 | TSHR (0.32) | — | |
| SCHEMBL635896 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL11627856 | 0.77 | — | — | |
| SCHEMBL11627859 | 0.77 | — | — | |
| SCHEMBL11736502 | 0.73 | — | — | |
| SCHEMBL11736494 | 0.73 | — | — | |
| SCHEMBL539979 | 0.72 | — | — | |
| SCHEMBL9913337 | 0.72 | — | — | |
| SCHEMBL261258 | 0.70 | FDPS (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 |
|---|---|---|---|---|---|---|---|
| US-4028344-A | FOAMING AGENTS, FREE RADICAL INITIATORS | PENNWALT CORPORATION (US) | 1977-06-07 | — | — | US | disclosed |