⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13089935 | 0.79 | — | — | |
| SCHEMBL16311704 | 0.79 | — | — | |
| SCHEMBL2456178 | 0.77 | CYP19A1 (0.48) | — | |
| SCHEMBL10910750 | 0.74 | — | — | |
| SCHEMBL2511120 | 0.74 | — | — | |
| SCHEMBL1006330 | 0.72 | CYP19A1 (0.45) | — | |
| SCHEMBL3825883 | 0.72 | — | — | |
| SCHEMBL5493826 | 0.72 | CYP19A1 (0.45) | — | |
| SCHEMBL19458983 | 0.72 | — | — | |
| SCHEMBL426940 | 0.72 | — | — |
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-2005070916-A1 | THIOPHENE AND FURAN COMPOUNDS | ELI LILLY AND COMPANY (US) | 2005-08-04 | — | — | WO | disclosed |