⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5188428 | 0.59 | — | — | |
| SCHEMBL2567856 | 0.57 | TSHR (0.30) | — | |
| SCHEMBL8927140 | 0.54 | TSHR (0.32) | — | |
| SCHEMBL2594730 | 0.54 | — | — | |
| SCHEMBL10664284 | 0.54 | — | — | |
| SCHEMBL127067 | 0.53 | — | — | |
| SCHEMBL1944465 | 0.51 | KDM4E (0.31) | — | |
| SCHEMBL10928090 | 0.51 | — | — | |
| SCHEMBL730124 | 0.51 | — | — | |
| SCHEMBL9939311 | 0.51 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2300490-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-03-30 | — | — | EP | disclosed |
| WO-2009146347-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-03 | — | — | WO | disclosed |
| EP-1879910-A2 | TRIPEPTIDES AS HEPATITIS C VIRUS INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006122188-A2 | TRIPEPTIDES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-16 | — | — | WO | disclosed |