⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25976118 | 0.78 | TLR4 (0.36) | — | |
| SCHEMBL17052659 | 0.78 | TLR4 (0.36) | — | |
| SCHEMBL12149515 | 0.74 | LGALS8 (0.31) | — | |
| SCHEMBL19940051 | 0.72 | — | — | |
| SCHEMBL17052660 | 0.71 | — | — | |
| SCHEMBL12154024 | 0.69 | LGALS8 (0.30) | — | |
| SCHEMBL13941424 | 0.66 | — | — | |
| SCHEMBL12899516 | 0.66 | — | — | |
| SCHEMBL25966083 | 0.66 | — | — | |
| SCHEMBL16708418 | 0.64 | OGA (0.41) | — |
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-20090275535-A1 | ANTIVIRAL PHOSPHONATE ANALOGS | GILEAD SCIENCES, INC. | 2009-11-05 | — | — | US | disclosed |
| US-7429565-B2 | Antiviral phosphonate analogs | GILEAD SCIENCES, INC. (US) | 2008-09-30 | — | — | US | disclosed |