⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20103869 | 0.64 | ADH1B (0.41) | — | |
| SCHEMBL15705874 | 0.57 | — | — | |
| SCHEMBL17106593 | 0.56 | — | — | |
| SCHEMBL9005336 | 0.56 | — | — | |
| SCHEMBL13337538 | 0.56 | — | — | |
| SCHEMBL13684693 | 0.56 | — | — | |
| SCHEMBL9675535 | 0.55 | — | — | |
| SCHEMBL14596219 | 0.54 | NR1H2 (0.30) | — | |
| SCHEMBL15705878 | 0.54 | — | — | |
| SCHEMBL22556979 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102791693-B | Hepatitis c virus inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 2016-04-13 | — | — | CN | claimed |
| CN-102791693-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2012-11-21 | — | — | CN | claimed |