⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14842950 | 0.67 | — | — | |
| SCHEMBL16212525 | 0.65 | — | — | |
| SCHEMBL542409 | 0.65 | — | — | |
| SCHEMBL51120 | 0.64 | ALDH1A1 (0.46) | — | |
| SCHEMBL740132 | 0.64 | ALDH1A1 (0.46) | — | |
| SCHEMBL42835 | 0.62 | — | — | |
| SCHEMBL9411280 | 0.62 | — | — | |
| SCHEMBL1593955 | 0.60 | ALDH1A1 (0.42) | — | |
| SCHEMBL9963065 | 0.60 | — | — | |
| SCHEMBL21751458 | 0.57 | ALDH1A1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0823423-B1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-06-16 | — | — | EP | disclosed |
| US-6140338-A | FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS | BANYU PHARMACEUTICAL, CO., LTD. (JP) | 2000-10-31 | — | — | US | disclosed |
| EP-0916668-A1 | CHEMOKINE RECEPTOR ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-05-19 | — | — | EP | disclosed |
| EP-0823423-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-02-11 | — | — | EP | disclosed |