⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7498269 | 0.85 | — | — | |
| SCHEMBL7498770 | 0.84 | — | — | |
| SCHEMBL7492949 | 0.84 | — | — | |
| SCHEMBL7495922 | 0.74 | — | — | |
| SCHEMBL7494609 | 0.74 | — | — | |
| SCHEMBL7544161 | 0.71 | — | — | |
| SCHEMBL3313260 | 0.54 | — | — | |
| SCHEMBL30084894 | 0.41 | — | — | |
| SCHEMBL24097278 | 0.39 | ALOX15 (0.50) | — | |
| SCHEMBL7945578 | 0.39 | — | — |
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-1100803-B1 | PYRROLO [2,1-B] [1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | SIGMA TAU IND FARMACEUTI (IT) | 2002-10-02 | — | — | EP | disclosed |
| US-6391870-B2 | DOPAMINERGIC AGENT | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2002-05-21 | — | — | US | disclosed |
| US-20020006921-A1 | Pyrrolo {2,1-b}{1,3}benzothiazepines with atypical antipsychotic activity | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2002-01-17 | — | — | US | disclosed |
| EP-1100803-A2 | PYRROLO 2,1-B] 1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000006579-A2 | PYRROLO[2,1-B][1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2000-02-10 | — | — | WO | disclosed |