⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10143636 | 0.90 | — | — | |
| SCHEMBL10144301 | 0.80 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL10120963 | 0.77 | L3MBTL1 (0.32) | — | |
| SCHEMBL10120954 | 0.68 | ASGR1 (0.32) | — | |
| SCHEMBL10143599 | 0.67 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL10144487 | 0.66 | SPHK1 (0.39) | — | |
| SCHEMBL17695817 | 0.64 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL13255730 | 0.62 | SPHK1 (0.38) | — | |
| SCHEMBL10121070 | 0.61 | — | — | |
| SCHEMBL10120768 | 0.57 | — | — |
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-20120022045-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | VENKATRAMAN SHANKAR (US) | 2012-01-26 | — | — | US | disclosed |
| WO-2010088167-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |