⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16718037 | 0.81 | — | — | |
| SCHEMBL28298534 | 0.71 | — | — | |
| SCHEMBL27761336 | 0.67 | — | — | |
| SCHEMBL28299873 | 0.65 | — | — | |
| Oxalic Acid SCHEMBL5729545 | 0.65 | — | — | |
| Acetic Acid SCHEMBL27759376 | 0.62 | FFAR3 (0.44) | — | |
| Carbamic Acid SCHEMBL27422028 | 0.62 | ACHE (0.44) | — | |
| Carbamic Acid SCHEMBL28313671 | 0.61 | ACHE (0.41) | — | |
| Succinic Acid SCHEMBL2578311 | 0.59 | LMNA (0.50) | — | |
| Fumaric Acid SCHEMBL8352060 | 0.59 | TSHR (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2909205-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-08-26 | — | — | EP | disclosed |
| WO-2014062196-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-04-24 | — | — | WO | disclosed |
| EP-2721053-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2014-04-23 | — | — | EP | disclosed |
| EP-2705049-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2014-03-12 | — | — | EP | disclosed |
| WO-2012173983-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-12-20 | — | — | WO | disclosed |
| WO-2012151195-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-08 | — | — | WO | disclosed |