⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL707741 | 0.93 | — | — | |
| Ethylene SCHEMBL21581919 | 0.86 | — | — | |
| SCHEMBL138469 | 0.77 | — | — | |
| Ethylene Glycol SCHEMBL21581914 | 0.76 | TET2 (0.39) | — | |
| SCHEMBL1292273 | 0.74 | — | — | |
| SCHEMBL11018178 | 0.74 | — | — | |
| Ethane SCHEMBL4575320 | 0.74 | — | — | |
| Bromide SCHEMBL258976 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL10470923 | 0.74 | — | — | |
| Tert-Butanol SCHEMBL21951019 | 0.71 | TSHR (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0236624-B1 | SUBSTITUTED PHENYL ETHANOL AMINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BEECHAM GROUP PLC (GB) | 1993-08-11 | — | — | EP | disclosed |