⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10144487 | 0.85 | SPHK1 (0.39) | — | |
| SCHEMBL10120954 | 0.82 | ASGR1 (0.32) | — | |
| SCHEMBL10120890 | 0.79 | — | — | |
| SCHEMBL10144301 | 0.74 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL10120762 | 0.73 | ASGR1 (0.30) | — | |
| SCHEMBL10121067 | 0.72 | — | — | |
| SCHEMBL20054296 | 0.70 | CTSD (0.31) | — | |
| SCHEMBL30048374 | 0.68 | CTSD (0.30) | — | |
| SCHEMBL30049388 | 0.68 | CTSD (0.30) | — | |
| SCHEMBL24449608 | 0.66 | HSD11B1 (0.40) | — |
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-20120022045-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | VENKATRAMAN SHANKAR (US) | 2012-01-26 | — | — | US | disclosed |