⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17987072 | 1.00 | — | — | |
| SCHEMBL18462894 | 0.91 | HDAC6 (0.30) | — | |
| SCHEMBL22943752 | 0.89 | HDAC6 (0.32) | — | |
| SCHEMBL22944864 | 0.89 | HDAC6 (0.32) | — | |
| SCHEMBL4547463 | 0.79 | HTT (0.30) | — | |
| SCHEMBL17621235 | 0.79 | HDAC6 (0.33) | — | |
| SCHEMBL16271221 | 0.79 | HTT (0.30) | — | |
| SCHEMBL16187693 | 0.79 | — | — | |
| SCHEMBL21897219 | 0.77 | — | — | |
| SCHEMBL18462678 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170029408-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. | 2017-02-02 | — | — | US | disclosed |
| WO-2014131315-A1 | BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2014-09-04 | — | — | WO | disclosed |
| WO-2014082379-A1 | SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF FIELD OF THE INVENTION | SUNSHINE LAKE PHARMA CO.,LTD. (CN) | 2014-06-05 | — | — | WO | disclosed |
| WO-2010132601-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2010-11-18 | — | — | WO | disclosed |