⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14898966 | 1.00 | — | — | |
| SCHEMBL19261933 | 1.00 | — | — | |
| SCHEMBL18506280 | 1.00 | — | — | |
| SCHEMBL10147272 | 0.86 | — | — | |
| SCHEMBL9980140 | 0.86 | — | — | |
| SCHEMBL25845830 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL25839732 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL20351180 | 0.81 | — | — | |
| SCHEMBL24112895 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL20351172 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170044140-A1 | BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2017-02-16 | — | — | US | disclosed |
| US-RE44186-E1 | Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-30 | — | — | US | disclosed |