⚠ 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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL2561 | 1.00 | — | — | |
| Pyrrolidine SCHEMBL7827746 | 1.00 | ALDH1A1 (0.89) | — | |
| SCHEMBL3632276 | 1.00 | ALDH1A1 (0.89) | — | |
| Pyrrolidine SCHEMBL148449 | 1.00 | — | — | |
| Pyrrolidine SCHEMBL11288790 | 1.00 | — | — | |
| Pyrrolidine SCHEMBL11536210 | 1.00 | — | — | |
| Pyrrolidine SCHEMBL27811068 | 1.00 | — | — | |
| SCHEMBL3811182 | 1.00 | ALDH1A1 (0.89) | — | |
| SCHEMBL576640 | 1.00 | ALDH1A1 (0.89) | — | |
| Azepane SCHEMBL11361504 | 0.94 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2603504-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-06-19 | — | — | EP | disclosed |
| US-20120195857-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2012-08-02 | — | — | US | disclosed |
| WO-2012021591-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-16 | — | — | WO | disclosed |