⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL681637 | 0.77 | PTGS1 (0.43) | — | |
| SCHEMBL31550398 | 0.74 | IDO1 (0.36) | — | |
| SCHEMBL25299834 | 0.74 | ADRB2 (0.35) | — | |
| SCHEMBL23029937 | 0.74 | CYP17A1 (0.33) | — | |
| SCHEMBL28969184 | 0.74 | CYP3A4 (0.30) | — | |
| SCHEMBL2610399 | 0.73 | UHRF1 (0.50) | — | |
| SCHEMBL11328189 | 0.73 | LOXL2 (0.42) | — | |
| SCHEMBL21098120 | 0.71 | NOS3 (0.33) | — | |
| SCHEMBL22025156 | 0.71 | ALDH1A1 (0.49) | — | |
| SCHEMBL7932616 | 0.70 | ESR1 (0.40) | — |
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-4271187-A | Substituted phenyl alanine antihypertensive agents | MERCK & CO., INC. (US) | 1981-06-02 | — | — | US | disclosed |
| US-4206216-A | Antihypertensive N-heterocyclicalanines | MERCK & CO., INC. (US) | 1980-06-03 | — | — | US | disclosed |
| US-4170654-A | Antihypertensive compositions containing N-heterocyclicalanines and α- | MERCK & CO., INC. (US) | 1979-10-09 | — | — | US | disclosed |
| US-4160835-A | Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid | MERCK & CO., INC. (US) | 1979-07-10 | — | — | US | disclosed |
| US-4156734-A | Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid | MERCK & CO., INC. (US) | 1979-05-29 | — | — | US | disclosed |
| US-4153715-A | Indolyl amino acids useful as antihypertensive agents | MERCK & CO., INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4065572-A | Amino acids and esters thereof useful as antihypertensive agents | MERCK & CO., INC. (US) | 1977-12-27 | — | — | US | disclosed |