⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13730234 | 0.89 | GPR119 (0.32) | — | |
| SCHEMBL13729410 | 0.88 | — | — | |
| SCHEMBL13830663 | 0.86 | — | — | |
| SCHEMBL17139285 | 0.81 | — | — | |
| SCHEMBL22749807 | 0.78 | DGAT1 (0.31) | — | |
| SCHEMBL22749793 | 0.78 | DGAT1 (0.31) | — | |
| SCHEMBL13728507 | 0.77 | — | — | |
| SCHEMBL13830079 | 0.77 | MMP1 (0.33) | — | |
| SCHEMBL13730237 | 0.76 | GPR119 (0.31) | — | |
| SCHEMBL16678208 | 0.67 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2914598-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-10-18 | — | — | EP | disclosed |
| EP-2909205-B1 | 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS | BRISTOL MYERS SQUIBB CO (US) | 2016-11-23 | — | — | EP | disclosed |
| US-9499550-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-11-22 | — | — | US | disclosed |
| EP-2705049-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-10-19 | — | — | EP | disclosed |
| US-20150284391-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2015-10-08 | — | — | US | disclosed |
| EP-2914598-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-09-09 | — | — | EP | disclosed |
| EP-2909205-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-08-26 | — | — | EP | disclosed |
| WO-2014071007-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-05-08 | — | — | WO | disclosed |
| WO-2014062196-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-04-24 | — | — | WO | disclosed |
| EP-2705049-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2014-03-12 | — | — | EP | disclosed |
| WO-2012151195-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-08 | — | — | WO | disclosed |