⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7178887 | 0.78 | — | — | |
| SCHEMBL8115837 | 0.72 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL8671711 | 0.70 | KEAP1 (0.34) | — | |
| SCHEMBL7178297 | 0.70 | LMNA (0.31) | — | |
| SCHEMBL8589123 | 0.69 | — | — | |
| SCHEMBL5707651 | 0.68 | L3MBTL1 (0.45) | — | |
| SCHEMBL1666716 | 0.67 | — | — | |
| SCHEMBL398311 | 0.67 | — | — | |
| SCHEMBL18230001 | 0.64 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL8861633 | 0.64 | CA12 (0.31) | — |
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-6576664-B1 | 1-amido-2-hydroxy-substituted-indanes; suppressing production of tumor necrosis factor | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-06-10 | — | — | US | disclosed |