⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL9901010 | 0.86 | ALDH1A1 (0.30) | — | |
| Ether SCHEMBL16446730 | 0.85 | ALDH1A1 (0.35) | — | |
| Ether SCHEMBL9009598 | 0.82 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL6535103 | 0.82 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL28855718 | 0.82 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL40006 | 0.82 | — | — | |
| Ether SCHEMBL8539905 | 0.81 | — | — | |
| Ether SCHEMBL23704984 | 0.78 | ALDH1A1 (0.35) | — | |
| Ether SCHEMBL7408471 | 0.76 | ALDH1A1 (0.33) | — | |
| Ether SCHEMBL10683113 | 0.76 | ALDH1A1 (0.33) | — |
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 9 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-4863903-A | RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1989-09-05 | — | — | 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 |
| US-4719288-A | HYPOTENSIVE | CIBA-GEIGY CORPORATION (US) | 1988-01-12 | — | — | US | disclosed |
| US-4613676-A | PEPTIDES | CIBA-GEIGY CORPORATION (US) | 1986-09-23 | — | — | US | disclosed |
| US-4595677-A | Substituted tetrapeptides | CIBA-GEIGY CORPORATION (US) | 1986-06-17 | — | — | US | disclosed |