⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19621 | 0.95 | — | — | |
| SCHEMBL229715 | 0.95 | ALDH1A1 (0.35) | — | |
| SCHEMBL31588091 | 0.91 | — | — | |
| SCHEMBL2277021 | 0.91 | — | — | |
| Water SCHEMBL28810779 | 0.91 | — | — | |
| SCHEMBL31172630 | 0.91 | — | — | |
| Bromide SCHEMBL8990185 | 0.91 | — | — | |
| SCHEMBL7650639 | 0.91 | ALDH1A1 (0.33) | — | |
| Bromide SCHEMBL8990184 | 0.91 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28906325 | 0.91 | — | — |
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-5081268-A | Process for the preparation of oxetanes from 1,3-glycol monosulfates | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1992-01-14 | — | — | US | disclosed |