⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24706751 | 0.77 | THRB (0.33) | — | |
| SCHEMBL24724546 | 0.75 | — | — | |
| SCHEMBL1770288 | 0.65 | — | — | |
| SCHEMBL11928245 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL13591762 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL1026712 | 0.64 | CA2 (0.34) | — | |
| Trifluoroacetamide SCHEMBL8526109 | 0.62 | — | — | |
| Trifluoroacetamide SCHEMBL1007195 | 0.62 | ALDH1A1 (0.32) | — | |
| Trifluoroacetamide SCHEMBL27678123 | 0.61 | LMNA (0.42) | — | |
| Trifluoroacetamide SCHEMBL142 | 0.61 | — | — |
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-7414078-B2 | Oral general anesthetics and metabolitically resistant anticonvulsants | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2008-08-19 | — | — | US | disclosed |
| US-7414078-B2 | Oral general anesthetics and metabolitically resistant anticonvulsants | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2008-08-19 | — | — | US | disclosed |