⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8074585 | 0.88 | — | — | |
| SCHEMBL9015759 | 0.83 | — | — | |
| SCHEMBL4800481 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL4382561 | 0.72 | — | — | |
| SCHEMBL116416 | 0.71 | — | — | |
| SCHEMBL4381110 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL498944 | 0.68 | — | — | |
| SCHEMBL4032941 | 0.67 | — | — | |
| SCHEMBL23961465 | 0.67 | — | — | |
| SCHEMBL9405080 | 0.65 | — | — |
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-5474657-A | In an electrolytic cell | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-12-12 | — | — | US | disclosed |