⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8558399 | 0.70 | — | — | |
| SCHEMBL8800674 | 0.61 | — | — | |
| SCHEMBL7483794 | 0.56 | — | — | |
| SCHEMBL11881835 | 0.55 | — | — | |
| SCHEMBL9879984 | 0.46 | — | — | |
| SCHEMBL5707703 | 0.35 | — | — | |
| Carbon Monoxide SCHEMBL6474405 | 0.34 | — | — | |
| Carbon Monoxide SCHEMBL56420 | 0.34 | — | — | |
| Carbon Monoxide SCHEMBL737079 | 0.34 | — | — | |
| Carbon Monoxide SCHEMBL6036550 | 0.34 | — | — |
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-1991544-A2 | SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS | Transtech Pharma, Inc. (US) | 2008-11-19 | — | — | EP | disclosed |
| WO-2007089857-A2 | SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS | TRANSTECH PHARMA, INC. (US) | 2007-08-09 | — | — | WO | disclosed |