⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2429005 | 0.83 | — | — | |
| SCHEMBL840697 | 0.78 | — | — | |
| SCHEMBL543757 | 0.78 | CES1 (0.55) | — | |
| SCHEMBL4264802 | 0.76 | — | — | |
| SCHEMBL7649696 | 0.74 | — | — | |
| SCHEMBL7648781 | 0.74 | — | — | |
| SCHEMBL7652053 | 0.74 | — | — | |
| SCHEMBL840072 | 0.74 | — | — | |
| SCHEMBL6961963 | 0.74 | CES1 (0.50) | — | |
| SCHEMBL28894244 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002536440-A | — | — | 2002-10-29 | — | — | JP | claimed |
| EP-1155007-A2 | 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES | G.D. Searle LLC (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000047568-A2 | 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES | G.D. SEARLE LLC (US) | 2000-08-17 | — | — | WO | claimed |
| EP-1812416-A1 | ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR | Abbott GmbH & Co. KG (DE) | 2007-08-01 | — | — | EP | disclosed |
| EP-1809597-A1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | Abbott GmbH & Co. KG (DE) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006040178-A1 | ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO.KG (DE) | 2006-04-20 | — | — | WO | disclosed |
| WO-2006040179-A1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO. KG (DE) | 2006-04-20 | — | — | WO | disclosed |