⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8887332 | 0.94 | — | — | |
| SCHEMBL2152822 | 0.83 | DRD2 (0.49) | — | |
| SCHEMBL6055982 | 0.83 | DRD2 (0.49) | — | |
| SCHEMBL2070013 | 0.83 | DRD2 (0.49) | — | |
| SCHEMBL8887381 | 0.81 | — | — | |
| SCHEMBL10357561 | 0.80 | HTR2A (0.49) | — | |
| SCHEMBL17272307 | 0.76 | DRD2 (0.51) | — | |
| SCHEMBL14299347 | 0.76 | DRD2 (0.51) | — | |
| SCHEMBL15825706 | 0.76 | DRD2 (0.51) | — | |
| SCHEMBL15822843 | 0.76 | DRD2 (0.51) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0638073-B1 | 1-PIPERAZINO-1,2-DIHYDROINDENE DERIVATIVES | LUNDBECK & CO AS H (DK) | 2000-06-21 | — | — | EP | disclosed |
| US-5807855-A | ANTAGONIST OF DOPAMINE RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS | H. LUNDBECK A/S (DK) | 1998-09-15 | — | — | US | disclosed |