⚠ 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 | |
|---|---|---|---|---|
| Trichloroethane SCHEMBL9544417 | 0.89 | TSHR (0.43) | — | |
| Trichloroethane SCHEMBL14976936 | 0.87 | — | — | |
| Acetone SCHEMBL11438157 | 0.87 | — | — | |
| Carbon Tetrachloride SCHEMBL4415386 | 0.86 | — | — | |
| Acetone SCHEMBL7644638 | 0.85 | — | — | |
| Trichloroethane SCHEMBL28866673 | 0.84 | — | — | |
| Acetone SCHEMBL9501103 | 0.84 | LMNA (0.46) | — | |
| Trichloroethane SCHEMBL28870485 | 0.82 | TSHR (0.55) | — | |
| Acetone SCHEMBL10438655 | 0.80 | — | — | |
| Acetone SCHEMBL11453850 | 0.80 | — | — |
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-4044713-A | Tumbing apparatus | ZENYAKU KOGYO KABUSHIKI KAISHA (JA) | 1977-08-30 | — | — | US | disclosed |
| US-3968277-A | Process for coating solid particles with a digestive tract-soluble film | ZENYAKU KOGYO KABUSHIKI KAISHA (JA) | 1976-07-06 | — | — | US | disclosed |