⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5752052 | 0.68 | — | — | |
| SCHEMBL5752260 | 0.60 | — | — | |
| SCHEMBL276212 | 0.57 | — | — | |
| SCHEMBL5398451 | 0.57 | — | — | |
| SCHEMBL547706 | 0.56 | — | — | |
| SCHEMBL16348648 | 0.56 | MAOA (0.46) | — | |
| SCHEMBL3586228 | 0.53 | — | — | |
| SCHEMBL11025882 | 0.52 | — | — | |
| SCHEMBL449871 | 0.51 | — | — | |
| SCHEMBL3358107 | 0.51 | MAOA (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4554364-B2 | — | — | 2010-09-29 | — | — | JP | claimed |
| EP-1539739-A1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-06-15 | — | — | EP | claimed |
| WO-2004020435-A1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-03-11 | — | — | WO | claimed |