⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3064332 | 0.71 | DCUN1D1 (0.40) | — | |
| SCHEMBL216981 | 0.69 | ACHE (0.39) | — | |
| SCHEMBL2969427 | 0.68 | ADORA3 (0.39) | — | |
| SCHEMBL7888377 | 0.68 | — | — | |
| SCHEMBL7888389 | 0.67 | PTGS2 (0.31) | — | |
| SCHEMBL5083243 | 0.67 | — | — | |
| SCHEMBL3208084 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL3211740 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL3199682 | 0.67 | PDCD1 (0.43) | — | |
| SCHEMBL3199947 | 0.66 | MEN1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2002004468-A1 | METALLOCENE POLYMERIZATION CATALYST | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2002-01-17 | — | — | WO | disclosed |