⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3823670 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL701587 | 0.64 | — | — | |
| SCHEMBL6648625 | 0.64 | — | — | |
| Propionitrile SCHEMBL28272509 | 0.56 | ALDH1A1 (0.56) | — | |
| SCHEMBL9770574 | 0.56 | — | — | |
| SCHEMBL114671 | 0.56 | — | — | |
| Acetonitrile SCHEMBL23375238 | 0.54 | — | — | |
| SCHEMBL31129771 | 0.54 | — | — | |
| SCHEMBL31135447 | 0.54 | LMNA (0.32) | — | |
| Hexane SCHEMBL7071302 | 0.54 | TSHR (0.39) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7432087-B2 | Method for preparing (2S, 3R, 4S)-4-hydroxyisoleucine and analogues thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) | 2008-10-07 | — | — | US | claimed |
| US-20070254929-A1 | Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof | WYETH (US) | 2007-11-01 | — | — | US | claimed |
| EP-1608638-A1 | FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF | Wyeth (US) | 2005-12-28 | — | — | EP | claimed |
| US-20050079587-A1 | Method for preparing (2S, 3R, 4S) -4-hydroxyisoleucine and analogues thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE | 2005-04-14 | — | — | US | claimed |
| WO-2004092155-A1 | FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF | WYETH (US) | 2004-10-28 | — | — | WO | claimed |
| US-20040198778-A1 | Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof | WYETH | 2004-10-07 | — | — | US | claimed |
| US-7858658-B2 | Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof | WYETH LLC (US) | 2010-12-28 | — | — | US | disclosed |
| US-20090227667-A1 | FLUORO- AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF | WYETH (US) | 2009-09-10 | — | — | US | disclosed |
| US-7547725-B2 | Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof | WYETH (US) | 2009-06-16 | — | — | US | disclosed |
| US-7300951-B2 | Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof | WYETH (US) | 2007-11-27 | — | — | US | disclosed |
| US-20070254929-A1 | Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof | WYETH (US) | 2007-11-01 | — | — | US | disclosed |
| EP-1608638-A1 | FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF | Wyeth (US) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004092155-A1 | FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF | WYETH (US) | 2004-10-28 | — | — | WO | disclosed |
| US-20040198778-A1 | Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof | WYETH | 2004-10-07 | — | — | US | disclosed |