⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17014363 | 0.93 | — | — | |
| SCHEMBL15692836 | 0.81 | HTR1A (0.30) | — | |
| SCHEMBL17014360 | 0.79 | CASP3 (0.38) | — | |
| SCHEMBL17014362 | 0.76 | NOTUM (0.33) | — | |
| SCHEMBL18870941 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL17014307 | 0.74 | NOTUM (0.32) | — | |
| SCHEMBL15585942 | 0.72 | PTPN1 (0.32) | — | |
| SCHEMBL17014344 | 0.71 | GSK3B (0.39) | — | |
| SCHEMBL15586400 | 0.68 | — | — | |
| SCHEMBL17014364 | 0.64 | NOTUM (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900656-B1 | SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS | SUNSHINE LAKE PHARMA CO LTD (CN) | 2017-05-17 | — | — | EP | disclosed |