⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194227 | 0.66 | — | — | |
| SCHEMBL21619472 | 0.63 | SLC6A2 (0.31) | — | |
| SCHEMBL24890367 | 0.63 | — | — | |
| SCHEMBL18314648 | 0.61 | LMNA (0.33) | — | |
| SCHEMBL5086761 | 0.61 | — | — | |
| SCHEMBL14968842 | 0.60 | — | — | |
| SCHEMBL2372059 | 0.60 | — | — | |
| SCHEMBL597428 | 0.60 | — | — | |
| SCHEMBL9851980 | 0.57 | — | — | |
| SCHEMBL275920 | 0.57 | LMNA (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1492767-A1 | CERTAIN 1-(D-CYCLOPROPYLGLYCINYL)-4-(PIPERIDIN-4-YL)PIPERAZINE COMPOUNDS AS INHIBITORS OF THE SERINE PROTEASE FACTOR XA | ELI LILLY AND COMPANY (US) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003084929-A1 | CERTAIN 1-(D-CYCLOPROPYLGLYCINYL)-4-(PIPERIDIN-4-YL)PIPERAZINE COMPOUNDS AS INHIBITORS OF THE SERINE PROTEASE FACTOR XA | ELI LILLY AND COMPANY (US) | 2003-10-16 | — | — | WO | disclosed |