⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6301634 | 0.69 | KMT2A (0.30) | — | |
| SCHEMBL6369317 | 0.69 | KMT2A (0.30) | — | |
| SCHEMBL6301762 | 0.64 | — | — | |
| SCHEMBL17363744 | 0.62 | — | — | |
| SCHEMBL23505828 | 0.59 | — | — | |
| SCHEMBL9887529 | 0.56 | — | — | |
| SCHEMBL15788805 | 0.55 | — | — | |
| SCHEMBL14652767 | 0.54 | NOS3 (0.33) | — | |
| SCHEMBL9887340 | 0.54 | — | — | |
| SCHEMBL14652764 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0790250-A2 | Inhibitors of biogenic amine transporters | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-08-20 | — | — | EP | disclosed |
| US-5574060-A | INDANOPYRROLES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-11-12 | — | — | US | disclosed |
| EP-0713484-A1 | INHIBITORS OF BIOGENIC AMINE TRANSPORTERS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-05-29 | — | — | EP | disclosed |
| WO-1995005364-A2 | INHIBITORS OF BIOGENIC AMINE TRANSPORTERS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-02-23 | — | — | WO | disclosed |