⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2442041 | 0.77 | — | — | |
| SCHEMBL1244991 | 0.54 | ALDH1A1 (0.39) | — | |
| SCHEMBL324825 | 0.52 | — | — | |
| SCHEMBL17961893 | 0.52 | ALDH1A1 (0.36) | — | |
| Isopropyl Alcohol SCHEMBL9487083 | 0.50 | ALDH1A1 (0.75) | — | |
| Isopropyl Alcohol SCHEMBL10657090 | 0.50 | ALDH1A1 (0.75) | — | |
| Isopropyl Alcohol SCHEMBL7540403 | 0.50 | — | — | |
| Isopropyl Alcohol SCHEMBL268429 | 0.50 | — | — | |
| Isopropyl Alcohol SCHEMBL22638753 | 0.50 | — | — | |
| SCHEMBL8154151 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993003042-A1 | 6-ETHYLIDENE PENEM DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1993-02-18 | — | — | WO | disclosed |