⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2122691 | 0.73 | — | — | |
| Hydrazine SCHEMBL8557568 | 0.70 | — | — | |
| SCHEMBL9152652 | 0.69 | GNAI3 (0.41) | — | |
| SCHEMBL4687615 | 0.69 | — | — | |
| Hydrazine SCHEMBL8558957 | 0.67 | GNAI3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL31209358 | 0.67 | — | — | |
| SCHEMBL5598602 | 0.66 | — | — | |
| SCHEMBL28290187 | 0.66 | ATM (0.32) | — | |
| SCHEMBL1854212 | 0.66 | GAA (0.32) | — | |
| SCHEMBL18556816 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5254682-A | Treating hypertension, hyperaldosteronism, congestive heart failure; glaucoma | MERCK & CO., INC. (US) | 1993-10-19 | — | — | US | disclosed |
| EP-0518672-A2 | Cyclic renin inhibitors | MERCK & CO. INC. (US) | 1992-12-16 | — | — | EP | disclosed |
| EP-0432974-A1 | Cyclic renin inhibitors | MERCK & CO. INC. (US) | 1991-06-19 | — | — | EP | disclosed |