⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL441794 | 0.78 | — | — | |
| SCHEMBL3790647 | 0.78 | — | — | |
| SCHEMBL221178 | 0.78 | — | — | |
| SCHEMBL62349 | 0.78 | — | — | |
| SCHEMBL63420 | 0.78 | — | — | |
| SCHEMBL127074 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8640352 | 0.76 | CYP3A4 (0.80) | — | |
| Hydrochloric Acid SCHEMBL10975110 | 0.76 | CYP3A4 (0.93) | — | |
| Hydrochloric Acid SCHEMBL8640357 | 0.76 | CYP3A4 (0.80) | — | |
| Hydrochloric Acid SCHEMBL4371942 | 0.76 | CYP3A4 (0.93) | — |
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-20100087680-A1 | METHOD FOR PRODUCING BIARYL COMPOUND | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2010-04-08 | — | — | US | disclosed |
| US-20080176919-A1 | Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators | PFIZER INC | 2008-07-24 | — | — | US | disclosed |
| EP-1914221-A1 | PROCESS FOR PRODUCING BIARYL COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2008-04-23 | — | — | EP | disclosed |