⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276692 | 0.76 | — | — | |
| SCHEMBL8778328 | 0.72 | KCNH2 (0.31) | — | |
| SCHEMBL276212 | 0.70 | — | — | |
| SCHEMBL5752260 | 0.65 | — | — | |
| SCHEMBL547706 | 0.64 | — | — | |
| SCHEMBL25112285 | 0.62 | AHR (0.32) | — | |
| SCHEMBL277262 | 0.61 | — | — | |
| Water SCHEMBL1552056 | 0.61 | MAOA (0.39) | — | |
| Water SCHEMBL693215 | 0.61 | MAOA (0.39) | — | |
| Water SCHEMBL8849446 | 0.61 | MAOA (0.39) | — |
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-1539739-B1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA NV (BE) | 2010-11-24 | — | — | EP | claimed |
| US-20040077684-A1 | Piperidinyl compounds that selectively bind integrins | JANSSEN PHARMACEUTICA, NV (BE) | 2004-04-22 | — | — | US | disclosed |