⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL58555 | 0.77 | — | — | |
| SCHEMBL25595532 | 0.75 | CA12 (0.35) | — | |
| SCHEMBL25597276 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL8307302 | 0.75 | CA1 (0.35) | — | |
| SCHEMBL19084430 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL23637809 | 0.73 | — | — | |
| SCHEMBL270452 | 0.73 | ADH1C (0.35) | — | |
| SCHEMBL13916966 | 0.71 | PIK3CD (0.40) | — | |
| SCHEMBL23452953 | 0.71 | PRMT3 (0.39) | — | |
| SCHEMBL270711 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0093765-A4 | 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES. | AMERICAN HOSPITAL SUPPLY CORP (US) | 1984-04-27 | — | — | EP | disclosed |
| EP-0093765-A1 | 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES. | AMERICAN HOSPITAL SUPPLY CORP (US) | 1983-11-16 | — | — | EP | disclosed |
| WO-1983001770-A1 | 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES | AMERICAN HOSPITAL SUPPLY CORP (US) | 1983-05-26 | — | — | WO | disclosed |