⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27548512 | 0.81 | CHRM2 (0.35) | — | |
| SCHEMBL27483726 | 0.75 | — | — | |
| SCHEMBL1065538 | 0.73 | — | — | |
| SCHEMBL3740780 | 0.73 | — | — | |
| SCHEMBL1691980 | 0.71 | — | — | |
| SCHEMBL7739517 | 0.71 | PTGS2 (0.32) | — | |
| SCHEMBL7739152 | 0.71 | PTGS2 (0.32) | — | |
| SCHEMBL7739278 | 0.71 | PTGS2 (0.32) | — | |
| SCHEMBL1275373 | 0.71 | — | — | |
| SCHEMBL7738617 | 0.71 | PTGS2 (0.32) | — |
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-2102157-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008074703-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-26 | — | — | WO | disclosed |