⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14577630 | 0.71 | — | — | |
| SCHEMBL1538998 | 0.69 | — | — | |
| SCHEMBL5997802 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL27533582 | 0.66 | — | — | |
| SCHEMBL1315759 | 0.66 | — | — | |
| SCHEMBL27742249 | 0.66 | — | — | |
| SCHEMBL20683902 | 0.64 | TSHR (0.40) | — | |
| SCHEMBL9726152 | 0.61 | — | — | |
| SCHEMBL7869336 | 0.61 | — | — | |
| SCHEMBL23891001 | 0.60 | ALDH1A1 (0.34) | — |
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 |