⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11395270 | 0.79 | — | — | |
| SCHEMBL11524314 | 0.77 | — | — | |
| SCHEMBL9516282 | 0.77 | LMNA (0.37) | — | |
| SCHEMBL8320095 | 0.71 | — | — | |
| Methylamine SCHEMBL28180135 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL9031476 | 0.69 | GLRA1 (0.32) | — | |
| SCHEMBL8837089 | 0.69 | — | — | |
| SCHEMBL4417005 | 0.67 | — | — | |
| SCHEMBL11414587 | 0.67 | EGLN1 (0.33) | — | |
| SCHEMBL11395166 | 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-4144391-A | REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE | ELI LILLY AND COMPANY (US) | 1979-03-13 | — | — | US | disclosed |