⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12667819 | 0.75 | — | — | |
| SCHEMBL30800060 | 0.72 | — | — | |
| SCHEMBL65710 | 0.72 | — | — | |
| SCHEMBL20153036 | 0.72 | CNR2 (0.39) | — | |
| SCHEMBL9967914 | 0.72 | — | — | |
| SCHEMBL29377138 | 0.72 | — | — | |
| SCHEMBL1686442 | 0.72 | — | — | |
| SCHEMBL19880348 | 0.72 | APP (0.55) | — | |
| SCHEMBL12951469 | 0.72 | — | — | |
| SCHEMBL1755271 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012125926-A2 | TETRACYCLIC XANTHENE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP (US) | 2012-09-20 | — | — | WO | disclosed |