⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13149200 | 1.00 | — | — | |
| SCHEMBL14454640 | 0.82 | — | — | |
| SCHEMBL15894971 | 0.70 | CA1 (0.33) | — | |
| SCHEMBL8268083 | 0.69 | — | — | |
| SCHEMBL256805 | 0.69 | — | — | |
| SCHEMBL12831877 | 0.67 | — | — | |
| SCHEMBL13679709 | 0.65 | — | — | |
| SCHEMBL7884764 | 0.65 | — | — | |
| SCHEMBL13874576 | 0.65 | — | — | |
| SCHEMBL8304681 | 0.65 | — | — |
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-2010115264-A1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-14 | — | — | WO | disclosed |