⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1993591 | 0.81 | — | — | |
| SCHEMBL1988360 | 0.74 | — | — | |
| Norflurane SCHEMBL16178354 | 0.69 | ALDH1A1 (0.37) | — | |
| Norflurane SCHEMBL9323586 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL16096616 | 0.67 | — | — | |
| Norflurane SCHEMBL9015498 | 0.67 | ALDH1A1 (0.30) | — | |
| Norflurane SCHEMBL10423659 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL19460651 | 0.64 | — | — | |
| Norflurane SCHEMBL9125113 | 0.64 | — | — | |
| SCHEMBL1990697 | 0.64 | — | — |
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-20170333941-A1 | HIGH ENERGY EFFICIENCY PHASE CHANGE DEVICE USING CONVEX SURFACE FEATURES | U.S. DEPARTMENT OF ENERGY | 2017-11-23 | — | — | US | claimed |