⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL9275711 | 0.93 | ALOX15 (0.31) | — | |
| 1,4-Butanediol SCHEMBL9090710 | 0.92 | ALOX15 (0.30) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL9092190 | 0.90 | KCNH3 (0.32) | — | |
| SCHEMBL9091260 | 0.89 | — | — | |
| SCHEMBL9162420 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL9090692 | 0.83 | ALDH1A1 (0.35) | — | |
| 1,4-Butanediol SCHEMBL9088608 | 0.83 | ALOX15 (0.32) | — | |
| Ethylene Glycol SCHEMBL9157891 | 0.83 | ALOX15 (0.33) | — | |
| Ethylene SCHEMBL9275695 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL9091343 | 0.82 | MAPK1 (0.36) | — |
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-5446144-A | Heat and light resistance | SANKYO COMPANY, LIMITED (JP) | 1995-08-29 | — | — | US | disclosed |