⚠ 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 SCHEMBL10912090 | 0.71 | — | — | |
| Iodide SCHEMBL7011684 | 0.65 | MEN1 (0.30) | — | |
| SCHEMBL7831061 | 0.62 | — | — | |
| SCHEMBL2257053 | 0.62 | CHRNB2 (0.30) | — | |
| SCHEMBL15237808 | 0.62 | — | — | |
| SCHEMBL2255118 | 0.59 | — | — | |
| SCHEMBL1872414 | 0.58 | — | — | |
| SCHEMBL9010330 | 0.55 | — | — | |
| SCHEMBL12954578 | 0.55 | HTR1A (0.31) | — | |
| SCHEMBL25230818 | 0.54 | LMNA (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |