⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12454576 | 0.92 | — | — | |
| SCHEMBL13532037 | 0.84 | TNK2 (0.33) | — | |
| SCHEMBL13532503 | 0.82 | ADORA2A (0.30) | — | |
| SCHEMBL15084442 | 0.82 | — | — | |
| SCHEMBL12454575 | 0.82 | — | — | |
| SCHEMBL12454577 | 0.78 | — | — | |
| SCHEMBL12295266 | 0.78 | — | — | |
| SCHEMBL12393386 | 0.77 | HSPA5 (0.35) | — | |
| SCHEMBL12393365 | 0.77 | ADORA2A (0.37) | — | |
| SCHEMBL12454580 | 0.76 | — | — |
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-20100021425-A1 | 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. (US) | 2010-01-28 | — | — | US | disclosed |