⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27896451 | 0.93 | — | — | |
| SCHEMBL27879651 | 0.72 | — | — | |
| SCHEMBL28862004 | 0.69 | — | — | |
| SCHEMBL27879618 | 0.68 | ADH1B (0.34) | — | |
| SCHEMBL27896447 | 0.67 | — | — | |
| SCHEMBL27896414 | 0.63 | ADH1B (0.33) | — | |
| SCHEMBL27896445 | 0.62 | ATM (0.30) | — | |
| SCHEMBL27879619 | 0.61 | TSHR (0.44) | — | |
| SCHEMBL27932790 | 0.61 | MEN1 (0.33) | — | |
| SCHEMBL18724719 | 0.57 | — | — |
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 |