⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8037192 | 0.90 | — | — | |
| SCHEMBL8033293 | 0.87 | DNM1 (0.50) | — | |
| SCHEMBL8023476 | 0.73 | — | — | |
| SCHEMBL30986983 | 0.69 | NFKB1 (0.46) | — | |
| SCHEMBL8039641 | 0.69 | — | — | |
| SCHEMBL1773102 | 0.66 | — | — | |
| SCHEMBL30986947 | 0.64 | NFKB1 (0.40) | — | |
| SCHEMBL30986916 | 0.64 | NFKB1 (0.40) | — | |
| SCHEMBL8033165 | 0.64 | — | — | |
| Butylamine SCHEMBL20642116 | 0.62 | DNM1 (0.56) | — |
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-6022822-A | Organotin compound and catalyst for transesterification comprising the same | RYOJI NOYORI (JP) | 2000-02-08 | — | — | US | disclosed |