⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1498433 | 0.74 | — | — | |
| SCHEMBL5315510 | 0.72 | — | — | |
| SCHEMBL2824654 | 0.72 | — | — | |
| SCHEMBL3724042 | 0.70 | EGFR (0.31) | — | |
| SCHEMBL22362795 | 0.70 | — | — | |
| SCHEMBL27934553 | 0.67 | L3MBTL1 (0.32) | — | |
| SCHEMBL15797899 | 0.67 | EPHX1 (0.31) | — | |
| SCHEMBL28707490 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL9253 | 0.66 | — | — | |
| SCHEMBL19991838 | 0.64 | ALDH1A1 (0.38) | — |
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-1296949-A2 | PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Pharma Company (US) | 2003-04-02 | — | — | EP | disclosed |
| WO-2001098268-A2 | PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-12-27 | — | — | WO | disclosed |