⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11074851 | 1.00 | — | — | |
| SCHEMBL8386306 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11088484 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL11082148 | 0.96 | — | — | |
| SCHEMBL18547804 | 0.82 | — | — | |
| SCHEMBL2516273 | 0.82 | — | — | |
| Histidinol SCHEMBL1580900 | 0.81 | — | — | |
| Histidinol SCHEMBL65205 | 0.81 | — | — | |
| Zinc Ion SCHEMBL9094151 | 0.81 | — | — | |
| Histidinol SCHEMBL65204 | 0.81 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4431817-A | ADRENERIC STIMULANTS; DECARBOXYLASE INHIBITORS; HYPOTENSIVE AGENTS; ANTISECRETORY AGENTS; ANTIULCER AGENTS | MERCK & CO., INC. (US) | 1984-02-14 | — | — | US | disclosed |
| US-4431821-A | HYPOTENSIVE AND ANTISECRETORY AGENTS; PARKINSON'S DISEASE | MERCK & CO., INC. (US) | 1984-02-14 | — | — | US | disclosed |
| EP-0000036-B1 | FLUORINATED ALKYLAMINES AND PROCESS FOR PREPARING SAME | MERCK & CO. INC. (US) | 1981-10-14 | — | — | EP | disclosed |
| EP-0000036-A1 | Fluorinated alkylamines and process for preparing same | MERCK & CO. INC. (US) | 1978-12-20 | — | — | EP | disclosed |