⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6450879 | 0.69 | — | — | |
| SCHEMBL3421809 | 0.65 | — | — | |
| SCHEMBL3695751 | 0.65 | — | — | |
| SCHEMBL276692 | 0.60 | — | — | |
| SCHEMBL3424564 | 0.60 | — | — | |
| SCHEMBL8778328 | 0.59 | KCNH2 (0.31) | — | |
| SCHEMBL7060258 | 0.58 | MAOA (0.38) | — | |
| SCHEMBL3354708 | 0.57 | MAOA (0.33) | — | |
| SCHEMBL15062681 | 0.57 | MAOA (0.45) | — | |
| SCHEMBL195110 | 0.56 | MAOA (0.65) | — |
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-1718635-A1 | PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-11-08 | — | — | EP | disclosed |
| WO-2005082889-A1 | PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-09-09 | — | — | WO | disclosed |