⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10283174 | 0.87 | TP53 (0.32) | — | |
| SCHEMBL10283234 | 0.77 | PTGDR2 (0.35) | — | |
| SCHEMBL10283556 | 0.76 | P2RX3 (0.33) | — | |
| SCHEMBL792566 | 0.74 | TP53 (0.35) | — | |
| SCHEMBL804489 | 0.74 | KCNH2 (0.32) | — | |
| SCHEMBL12510265 | 0.73 | NPC1 (0.32) | — | |
| SCHEMBL803943 | 0.73 | — | — | |
| SCHEMBL13285901 | 0.72 | HDAC1 (0.34) | — | |
| SCHEMBL803857 | 0.72 | ESR1 (0.34) | — | |
| SCHEMBL804084 | 0.72 | PRKCA (0.32) | — |
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-20120070409-A1 | TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-03-22 | — | — | US | disclosed |