⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4016277 | 0.83 | CES1 (0.31) | — | |
| SCHEMBL182009 | 0.79 | — | — | |
| SCHEMBL262994 | 0.78 | PYGM (0.35) | — | |
| SCHEMBL3622646 | 0.78 | — | — | |
| SCHEMBL3328286 | 0.76 | — | — | |
| SCHEMBL936174 | 0.76 | — | — | |
| SCHEMBL7411108 | 0.76 | — | — | |
| SCHEMBL18550681 | 0.76 | GSK3B (0.33) | — | |
| SCHEMBL12609413 | 0.74 | — | — | |
| SCHEMBL15363888 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0690863-B1 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LAB (US) | 2003-03-05 | — | — | EP | disclosed |
| US-5597832-A | TREATMENT OF NEUROLOGICAL, PSYCHOLOGICAL, CARDIOVASCULAR DISORDERS, AND SUBSTANCE ABUSE, BEHAVIOR DISORDERS, COGNITIVE IMPAIRMENT AND ATTENTION DEFICIT DISORDER | ABBOTT LABORATORIES (US) | 1997-01-28 | — | — | US | disclosed |
| EP-0690863-A1 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LABORATORIES (US) | 1996-01-10 | — | — | EP | disclosed |
| EP-0690863-A4 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LAB (US) | 1995-11-07 | — | — | EP | disclosed |
| WO-1994022858-A1 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LABORATORIES (US) | 1994-10-13 | — | — | WO | disclosed |