⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16409139 | 0.87 | ALDH1A1 (0.34) | — | |
| SCHEMBL11399580 | 0.80 | — | — | |
| SCHEMBL2413820 | 0.78 | — | — | |
| SCHEMBL13954307 | 0.77 | — | — | |
| SCHEMBL15116883 | 0.76 | — | — | |
| SCHEMBL16407791 | 0.76 | FFAR3 (0.32) | — | |
| SCHEMBL13954309 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL22641057 | 0.74 | — | — | |
| SCHEMBL16391210 | 0.72 | — | — | |
| SCHEMBL16391436 | 0.72 | ALDH1A1 (0.30) | — |
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-9770439-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-26 | — | — | US | disclosed |
| US-20160158200-A1 | Combinations of Hepatitis C Virus Inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2016-06-09 | — | — | US | disclosed |
| US-20150297568-A1 | Hepatitis C Virus Inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2015-10-22 | — | — | US | disclosed |
| US-20150023913-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2015-01-22 | — | — | US | disclosed |