⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2155853 | 0.69 | — | — | |
| SCHEMBL14829828 | 0.67 | — | — | |
| SCHEMBL28208316 | 0.67 | — | — | |
| SCHEMBL20445116 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL31108165 | 0.44 | — | — | |
| SCHEMBL12616003 | 0.44 | PI4KA (0.34) | — | |
| SCHEMBL31490392 | 0.43 | — | — | |
| SCHEMBL6278613 | 0.43 | — | — | |
| Hydrochloric Acid SCHEMBL15903538 | 0.41 | PTK2 (0.33) | — | |
| SCHEMBL18623483 | 0.37 | PTK2 (0.64) | — |
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-0877744-B1 | SUBSTITUTED AZA- AND DIAZACYCLOHEPTANE AND CYCLOOCTANE COMPOUNDS AND THEIR USE | ABBOTT GMBH & CO KG (DE) | 2004-08-11 | — | — | EP | disclosed |
| US-6352981-B1 | TREAT DISORDERS WHICH RESPOND TO DOPAMINE D.SUB.3 LIGANDS SUCH AS SCHISTOSOMIASIS, SCHIZOPHRENIA, DEPRESSION, NEUROSES OR PSYCHOSES | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-05 | — | — | US | disclosed |
| US-6214822-B1 | PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS | BASF AKTIENGESELLSCHAFT (DE) | 2001-04-10 | — | — | US | disclosed |
| EP-0877744-A1 | SUBSTITUTED AZA- AND DIAZACYCLOHEPTANE AND CYCLOOCTANE COMPOUNDS AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-18 | — | — | EP | disclosed |
| WO-1997025324-A1 | SUBSTITUTED AZA- AND DIAZACYCLOHEPTANE AND CYCLOOCTANE COMPOUNDS AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 1997-07-17 | — | — | WO | disclosed |