⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22115 | 0.84 | — | — | |
| SCHEMBL19638281 | 0.81 | — | — | |
| SCHEMBL1313897 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL2551613 | 0.81 | — | — | |
| SCHEMBL7872261 | 0.69 | — | — | |
| Butane SCHEMBL1716722 | 0.69 | — | — | |
| SCHEMBL7869335 | 0.69 | — | — | |
| SCHEMBL6898262 | 0.69 | — | — | |
| Chloromethane SCHEMBL27745254 | 0.68 | — | — | |
| SCHEMBL1647240 | 0.68 | — | — |
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-5138109-A | Alkylation in presence of liquid catalyst containing aluminum chloride and alkylbenzene | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1992-08-11 | — | — | US | disclosed |