⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31364603 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL31364605 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL17654953 | 0.82 | EPHX2 (0.33) | — | |
| SCHEMBL7555020 | 0.81 | — | — | |
| SCHEMBL1230783 | 0.81 | — | — | |
| SCHEMBL2893056 | 0.81 | HRH4 (0.38) | — | |
| SCHEMBL1373825 | 0.80 | — | — | |
| SCHEMBL9560353 | 0.79 | MPO (0.35) | — | |
| Hydrochloric Acid SCHEMBL11644018 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1308667 | 0.79 | HRH4 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4931591-A | Novel 5-amino-4-hydroxyvaleryl derivatives | CIBA-GEIGY CORPORATION (US) | 1990-06-05 | — | — | US | disclosed |
| US-4914129-A | Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups | CIBA-GEIGY CORPORATION (US) | 1990-04-03 | — | — | US | disclosed |
| US-4889869-A | ANTIALDOSTERONISM AGENTS | CIBA-GEIGY CORPORATION (US) | 1989-12-26 | — | — | US | disclosed |
| US-4758584-A | Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups | CIBA-GEIGY CORPORATION (US) | 1988-07-19 | — | — | US | disclosed |
| US-4727060-A | HYPOTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1988-02-23 | — | — | US | disclosed |
| EP-0236734-A2 | 5-Amino-4-hydroxyvaleryl derivatives substituted by s-containing groups | CIBA-GEIGY AG (CH) | 1987-09-16 | — | — | EP | disclosed |
| EP-0184550-A2 | 5-Amino-4-hydroxy valeryl amide derivatives | CIBA-GEIGY AG (CH) | 1986-06-11 | — | — | EP | disclosed |