⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL906274 | 0.85 | — | — | |
| Methylene Chloride SCHEMBL28063960 | 0.77 | TSHR (0.32) | — | |
| Propene SCHEMBL28030809 | 0.76 | — | — | |
| SCHEMBL16908581 | 0.72 | — | — | |
| SCHEMBL10965091 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL6593385 | 0.69 | — | — | |
| Propene SCHEMBL18783170 | 0.65 | — | — | |
| SCHEMBL23581065 | 0.63 | — | — | |
| Propene SCHEMBL11319992 | 0.63 | TSHR (0.33) | — | |
| Dichloropropane SCHEMBL2239175 | 0.63 | — | — |
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-0053389-A1 | Process for preparing cationic surface active agents | TOHO CHEMICAL INDUSTRY CO., LTD. (JP) | 1982-06-09 | — | — | EP | disclosed |