⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6113365 | 0.92 | — | — | |
| SCHEMBL908146 | 0.81 | — | — | |
| SCHEMBL2381892 | 0.81 | — | — | |
| SCHEMBL1164867 | 0.81 | THRB (0.62) | — | |
| SCHEMBL100643 | 0.81 | THRB (0.62) | — | |
| SCHEMBL7714575 | 0.80 | — | — | |
| SCHEMBL25303278 | 0.78 | THRB (0.59) | — | |
| SCHEMBL9278178 | 0.78 | THRB (0.59) | — | |
| SCHEMBL22395412 | 0.78 | THRB (0.59) | — | |
| SCHEMBL25389134 | 0.78 | THRB (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6369101-B1 | Therapeutic method to treat herpes virus infection | REGENTS OF THE UNIVERSITY OF MINNESOTA | 2002-04-09 | — | — | US | disclosed |
| WO-1998034603-A1 | USE OF BETULIN AND ANALOGS THEREOF TO TREAT HERPESVIRUS INFECTION | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1998-08-13 | — | — | WO | disclosed |