⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16316864 | 0.80 | ANPEP (0.45) | — | |
| SCHEMBL25823119 | 0.73 | TSHR (0.53) | — | |
| SCHEMBL792029 | 0.72 | — | — | |
| SCHEMBL2066478 | 0.69 | — | — | |
| SCHEMBL4303113 | 0.69 | — | — | |
| SCHEMBL1237 | 0.67 | ANPEP (0.53) | — | |
| SCHEMBL10899969 | 0.67 | ANPEP (0.53) | — | |
| SCHEMBL20105091 | 0.67 | — | — | |
| SCHEMBL119231 | 0.67 | — | — | |
| SCHEMBL22019731 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110004951-A1 | METHODS AND COMPOSITIONS FOR IDENTIFYING COMPOUNDS THAT INHIBIT HIV-1 SUBUNIT-SPECIFIC REVERSE TRANSCRIPTASE | UAB RESEARCH FOUNDATION, THE | 2011-01-06 | — | — | US | disclosed |