⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3421809 | 0.74 | — | — | |
| SCHEMBL3423239 | 0.73 | — | — | |
| SCHEMBL5752260 | 0.69 | — | — | |
| SCHEMBL5546848 | 0.63 | CA1 (0.35) | — | |
| SCHEMBL27732541 | 0.63 | — | — | |
| SCHEMBL6920489 | 0.61 | RAB9A (0.42) | — | |
| SCHEMBL5752052 | 0.59 | — | — | |
| SCHEMBL547196 | 0.59 | ESR1 (0.42) | — | |
| SCHEMBL102103 | 0.53 | — | — | |
| SCHEMBL17495240 | 0.53 | TDP1 (0.40) | — |
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-A1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004020435-A1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-03-11 | — | — | WO | disclosed |