⚠ 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 SCHEMBL21585665 | 0.97 | LMNA (0.35) | — | |
| SCHEMBL12667948 | 0.81 | CTSD (0.35) | — | |
| SCHEMBL2153338 | 0.79 | — | — | |
| SCHEMBL17178025 | 0.77 | CTSD (0.32) | — | |
| SCHEMBL6850579 | 0.77 | — | — | |
| SCHEMBL27125662 | 0.76 | — | — | |
| SCHEMBL621075 | 0.76 | — | — | |
| SCHEMBL12459791 | 0.75 | CTSD (0.31) | — | |
| SCHEMBL4731737 | 0.75 | CTSD (0.31) | — | |
| SCHEMBL15858070 | 0.75 | CTSD (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016202755-A1 | 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-12-22 | — | — | WO | disclosed |
| US-9102621-B2 | Acyl sulfonamide compounds | PFIZER LIMITED (GB) | 2015-08-11 | — | — | US | disclosed |
| US-20090215743-A1 | Tricyclic benzazepine derivatives and their use | BAYER HEALTHCARE AG (DE) | 2009-08-27 | — | — | US | disclosed |
| EP-1706413-A1 | TRICYCLIC BENZAZEPINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS USED FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | Bayer HealthCare AG (DE) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005068472-A1 | TRICYCLIC BENZAZEPINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS USED FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | BAYER HEALTHCARE AG (DE) | 2005-07-28 | — | — | WO | disclosed |