⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29435156 | 0.81 | — | — | |
| SCHEMBL27941413 | 0.81 | — | — | |
| SCHEMBL1582413 | 0.81 | — | — | |
| SCHEMBL29088689 | 0.81 | — | — | |
| SCHEMBL27372297 | 0.79 | ALDH1A1 (0.57) | — | |
| SCHEMBL31152644 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL24579551 | 0.77 | ALDH1A1 (0.67) | — | |
| SCHEMBL27812729 | 0.77 | — | — | |
| SCHEMBL7262916 | 0.76 | ALDH1A1 (0.59) | — | |
| SCHEMBL4198756 | 0.75 | ALDH1A1 (0.58) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6737429-B2 | TREATMENT OF HIV MEDIATED DISEASES. | HOFFMANN-LA ROCHE INC. | 2004-05-18 | — | — | US | disclosed |
| EP-1417202-A2 | AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2004-05-12 | — | — | EP | disclosed |
| EP-1301481-A1 | PYRROLE DERIVATIVES FOR TREATING AIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-16 | — | — | EP | disclosed |
| US-20030069276-A1 | Amino piperidine derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2003-04-10 | — | — | US | disclosed |
| WO-2002079186-A2 | AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-10 | — | — | WO | disclosed |
| US-20020032221-A1 | Pyrrole derivatives | ROCHE PRODUCTS LIMITED (GB) | 2002-03-14 | — | — | US | disclosed |
| WO-2002002524-A1 | PYRROLE DERIVATIVES FOR TREATING AIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-10 | — | — | WO | disclosed |