⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18870940 | 0.93 | — | — | |
| SCHEMBL17014360 | 0.77 | CASP3 (0.38) | — | |
| SCHEMBL17014362 | 0.77 | NOTUM (0.33) | — | |
| SCHEMBL15692836 | 0.74 | HTR1A (0.30) | — | |
| SCHEMBL17014307 | 0.70 | NOTUM (0.32) | — | |
| SCHEMBL17014344 | 0.69 | GSK3B (0.39) | — | |
| SCHEMBL15585942 | 0.65 | PTPN1 (0.32) | — | |
| SCHEMBL17014364 | 0.65 | NOTUM (0.36) | — | |
| SCHEMBL17014335 | 0.60 | ALDH1A1 (0.34) | — | |
| SCHEMBL17014328 | 0.60 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150232509-A1 | SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-08-20 | — | — | US | disclosed |
| US-20150232509-A1 | SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-08-20 | — | — | US | disclosed |