⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL153167 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL1598830 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL426301 | 0.79 | TRPA1 (0.39) | — | |
| SCHEMBL15412351 | 0.78 | F7 (0.42) | — | |
| SCHEMBL5188229 | 0.78 | F7 (0.42) | — | |
| SCHEMBL15412350 | 0.78 | F7 (0.42) | — | |
| SCHEMBL5932881 | 0.77 | — | — | |
| SCHEMBL2138374 | 0.77 | — | — | |
| SCHEMBL5932891 | 0.77 | — | — | |
| SCHEMBL2375960 | 0.77 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4525174-A | Method and fuel composition for control of octane requirement increase | UNION OIL COMPANY OF CALIFORNIA (US) | 1985-06-25 | — | — | US | claimed |
| US-8846023-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-30 | — | — | US | disclosed |
| EP-2049522-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-05-14 | — | — | EP | disclosed |
| US-8642025-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-02-04 | — | — | US | disclosed |
| US-20140017195-A1 | Hepatitis C Virus Inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2014-01-16 | — | — | US | disclosed |
| US-8574563-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-11-05 | — | — | US | disclosed |
| US-20130034520-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-07 | — | — | US | disclosed |
| US-20130004457-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2013-01-03 | — | — | US | disclosed |
| US-20100158862-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2010-06-24 | — | — | US | disclosed |
| US-4525174-A | Method and fuel composition for control of octane requirement increase | UNION OIL COMPANY OF CALIFORNIA (US) | 1985-06-25 | — | — | US | disclosed |