⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12192671 | 0.94 | — | — | |
| SCHEMBL13684333 | 0.84 | — | — | |
| 1,6-Hexanediol SCHEMBL1827503 | 0.73 | — | — | |
| SCHEMBL19860394 | 0.71 | MEN1 (0.55) | — | |
| SCHEMBL21357398 | 0.71 | MEN1 (0.55) | — | |
| SCHEMBL8936938 | 0.71 | MEN1 (0.55) | — | |
| SCHEMBL9011790 | 0.71 | MEN1 (0.55) | — | |
| SCHEMBL6047745 | 0.71 | MEN1 (0.55) | — | |
| SCHEMBL54120 | 0.71 | MEN1 (0.55) | — | |
| SCHEMBL225132 | 0.71 | MEN1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100113549-A1 | PYRROLIDINE COMPOUNDS | ISIS INNOVATION LTD. (GB) | 2010-05-06 | — | — | US | disclosed |
| EP-1828116-A1 | PYRROLIDINE COMPOUNDS | ISIS INNOVATION LIMITED (GB) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006061585-A1 | PYRROLIDINE COMPOUNDS | ISIS INNOVATION LIMITED (GB) | 2006-06-15 | — | — | WO | disclosed |