⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4434609 | 0.94 | BCHE (0.30) | — | |
| SCHEMBL9516501 | 0.92 | BCHE (0.33) | — | |
| SCHEMBL4564358 | 0.92 | BCHE (0.33) | — | |
| SCHEMBL5914620 | 0.87 | — | — | |
| SCHEMBL5133085 | 0.79 | — | — | |
| SCHEMBL1470202 | 0.79 | NPC1 (0.31) | — | |
| SCHEMBL22184230 | 0.78 | — | — | |
| SCHEMBL7719791 | 0.78 | PTGS2 (0.35) | — | |
| SCHEMBL9574439 | 0.76 | PTGS2 (0.37) | — | |
| SCHEMBL5131319 | 0.74 | THRA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000006157-A1 | SULPHONAMIDE DERIVATIVES | ELI LILLY AND COMPANY (US) | 2000-02-10 | — | — | WO | disclosed |
| WO-1998033496-A1 | SULPHONAMIDE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1998-08-06 | — | — | WO | disclosed |