⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17019676 | 0.83 | PDE7A (0.30) | — | |
| SCHEMBL17019757 | 0.76 | BRD4 (0.30) | — | |
| SCHEMBL9923814 | 0.74 | ESR1 (0.34) | — | |
| SCHEMBL9904807 | 0.70 | MAOA (0.33) | — | |
| SCHEMBL24046301 | 0.70 | HDAC4 (0.41) | — | |
| SCHEMBL17019721 | 0.69 | HDAC4 (0.30) | — | |
| SCHEMBL19833424 | 0.68 | SLC6A2 (0.32) | — | |
| SCHEMBL17019714 | 0.68 | HDAC4 (0.31) | — | |
| SCHEMBL21936675 | 0.67 | BRD4 (0.33) | — | |
| SCHEMBL15896713 | 0.66 | NQO2 (0.34) | — |
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-20150232509-A1 | SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-08-20 | — | — | US | disclosed |