⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9513593 | 0.73 | — | — | |
| SCHEMBL11684359 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27811929 | 0.71 | — | — | |
| SCHEMBL29217196 | 0.69 | — | — | |
| SCHEMBL27884176 | 0.69 | — | — | |
| SCHEMBL17373689 | 0.69 | — | — | |
| SCHEMBL17373690 | 0.69 | — | — | |
| SCHEMBL2351783 | 0.69 | — | — | |
| SCHEMBL27696409 | 0.69 | — | — | |
| SCHEMBL10606756 | 0.66 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0219961-B1 | IRREVERSIBLE DOPAMINE-B-HYDROXYLASE INHIBITORS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-03-08 | — | — | EP | claimed |
| US-4760089-A | Benzonitrile derivative; enzyme inhibitor | SMITHKLINE BECKMAN CORPORATION (US) | 1988-07-26 | — | — | US | claimed |
| EP-0219961-A1 | Irreversible dopamine-B-hydroxylase inhibitors | SMITHKLINE BECKMAN CORPORATION (US) | 1987-04-29 | — | — | EP | claimed |
| EP-0432442-A1 | ACAT inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-06-19 | — | — | EP | disclosed |
| EP-0219961-B1 | IRREVERSIBLE DOPAMINE-B-HYDROXYLASE INHIBITORS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-03-08 | — | — | EP | disclosed |
| US-4760089-A | Benzonitrile derivative; enzyme inhibitor | SMITHKLINE BECKMAN CORPORATION (US) | 1988-07-26 | — | — | US | disclosed |
| US-4760089-A | Benzonitrile derivative; enzyme inhibitor | SMITHKLINE BECKMAN CORPORATION (US) | 1988-07-26 | — | — | US | disclosed |
| EP-0219961-A1 | Irreversible dopamine-B-hydroxylase inhibitors | SMITHKLINE BECKMAN CORPORATION (US) | 1987-04-29 | — | — | EP | disclosed |