⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4047933 | 0.96 | — | — | |
| SCHEMBL8762698 | 0.67 | — | — | |
| SCHEMBL8762693 | 0.67 | — | — | |
| SCHEMBL2453591 | 0.64 | — | — | |
| SCHEMBL4434454 | 0.64 | — | — | |
| SCHEMBL13947587 | 0.62 | — | — | |
| SCHEMBL138593 | 0.60 | — | — | |
| SCHEMBL18691332 | 0.59 | — | — | |
| SCHEMBL616019 | 0.58 | — | — | |
| SCHEMBL3917845 | 0.57 | — | — |
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-2379529-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010070022-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-06-24 | — | — | WO | disclosed |
| WO-2009020470-A2 | CGRP RECEPTOR ANTAGONISTS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-02-12 | — | — | WO | disclosed |
| EP-1869041-A1 | TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | Warner-Lambert Company LLC (US) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006103559-A1 | TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC (US) | 2006-10-05 | — | — | WO | disclosed |