⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1025624 | 1.00 | — | — | |
| SCHEMBL31518161 | 1.00 | — | — | |
| SCHEMBL6673550 | 1.00 | — | — | |
| SCHEMBL258635 | 1.00 | — | — | |
| SCHEMBL9295522 | 1.00 | — | — | |
| SCHEMBL8542060 | 1.00 | — | — | |
| SCHEMBL10754844 | 0.96 | CCR5 (0.53) | — | |
| SCHEMBL21440674 | 0.96 | CCR5 (0.53) | — | |
| SCHEMBL18155356 | 0.96 | CCR5 (0.53) | — | |
| SCHEMBL21349622 | 0.96 | CCR5 (0.53) | — |
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-2407455-A1 | MOLECULAR PROBE PRECURSOR FOR PANCREATIC ISLET IMAGING AND USE OF SAME | Kyoto University (JP) | 2012-01-18 | — | — | EP | disclosed |
| EP-0740657-B1 | 4-ARYLISOINDOLE ANALGESICS | ORTHO PHARMA CORP (US) | 2002-03-06 | — | — | EP | disclosed |
| EP-0690842-B1 | 4-ARYLISOINDOLE ANALGESICS | ORTHO PHARMA CORP (US) | 1998-12-16 | — | — | EP | disclosed |
| US-5543530-A | 4-arylisoindole analgesics | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-08-06 | — | — | US | disclosed |