⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4902728 | 0.93 | ACSS2 (0.32) | — | |
| SCHEMBL4884136 | 0.92 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL4882617 | 0.85 | KCNH2 (0.34) | — | |
| SCHEMBL4877765 | 0.83 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL4875980 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL4905168 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL4896799 | 0.76 | KCNH2 (0.30) | — | |
| SCHEMBL4887120 | 0.76 | KCNH2 (0.35) | — | |
| SCHEMBL4902680 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL4899905 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080176919-A1 | Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators | PFIZER INC | 2008-07-24 | — | — | US | disclosed |
| US-20080176919-A1 | Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators | PFIZER INC | 2008-07-24 | — | — | US | disclosed |
| US-20080176919-A1 | Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators | PFIZER INC | 2008-07-24 | — | — | US | disclosed |