⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11450982 | 0.87 | — | — | |
| SCHEMBL27737411 | 0.87 | — | — | |
| SCHEMBL38886 | 0.87 | — | — | |
| SCHEMBL28800944 | 0.75 | — | — | |
| SCHEMBL28989196 | 0.75 | — | — | |
| SCHEMBL6764258 | 0.75 | — | — | |
| SCHEMBL29262278 | 0.75 | — | — | |
| Water SCHEMBL863986 | 0.75 | — | — | |
| SCHEMBL3152282 | 0.75 | — | — | |
| SCHEMBL16566921 | 0.75 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1039321-C | New beta-amino-alpha-hydroxycarboxylic acids and their use | SANKYO CO (JP) | 1998-07-29 | — | — | CN | disclosed |
| US-5288720-A | Hypotensive agents | AMERICAN CYANAMID COMPANY (US) | 1994-02-22 | — | — | US | disclosed |
| CN-1064683-A | New beta-amino-alpha-hydroxycarboxylic acids and uses thereof | SANKYO CO (JP) | 1992-09-23 | — | — | CN | disclosed |
| US-4487929-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE, INC. (US) | 1984-12-11 | — | — | US | disclosed |
| US-4399136-A | Pyrazolopyridazine antihypertensives | HOFFMANN-LA ROCHE INC. (US) | 1983-08-16 | — | — | US | disclosed |
| US-4029693-A | HYPOTENSIVES, ANTISECRETORY, ANTIFERTILITY | THE UPJOHN COMPANY (US) | 1977-06-14 | — | — | US | disclosed |
| US-4001300-A | ANTIULCER, DECONGESTANT, LABOR INDUCER, WOUND HEALER | THE UPJOHN COMPANY (US) | 1977-01-04 | — | — | US | disclosed |