⚠ 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 SCHEMBL7173603 | 0.98 | — | — | |
| SCHEMBL2555638 | 0.78 | — | — | |
| SCHEMBL1060624 | 0.77 | — | — | |
| SCHEMBL2542765 | 0.74 | — | — | |
| SCHEMBL9430796 | 0.74 | HCAR2 (0.42) | — | |
| SCHEMBL3110492 | 0.73 | — | — | |
| SCHEMBL14844878 | 0.72 | — | — | |
| SCHEMBL31703968 | 0.71 | USP2 (0.52) | — | |
| SCHEMBL27584608 | 0.70 | USP2 (0.50) | — | |
| SCHEMBL19919696 | 0.70 | USP2 (0.41) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10653674-B2 | Multisubstituted aromatic compounds as inhibitors of thrombin | VERSEON CORPORATION (US) | 2020-05-19 | — | — | US | disclosed |
| US-20180214418-A1 | MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN | VERSEON INTERNATIONAL CORPORATION | 2018-08-02 | — | — | US | disclosed |
| US-9963440-B2 | Multisubstituted aromatic compounds as inhibitors of thrombin | VERSEON CORPORATION (US) | 2018-05-08 | — | — | US | disclosed |
| US-20170326125-A1 | MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN | VERSEON INTERNATIONAL CORPORATION | 2017-11-16 | — | — | US | disclosed |
| US-9533967-B2 | Multisubstituted aromatic compounds as inhibitors of thrombin | VERSEON CORPORATION (US) | 2017-01-03 | — | — | US | disclosed |
| US-20160256440-A1 | MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN | VERSEON INTERNATIONAL CORPORATION | 2016-09-08 | — | — | US | disclosed |
| US-20160136177-A1 | MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN | VERSEON INTERNATIONAL CORPORATION | 2016-05-19 | — | — | US | disclosed |
| US-20160122333-A1 | MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN | VERSEON INTERNATIONAL CORPORATION | 2016-05-05 | — | — | US | disclosed |
| EP-2603496-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-19 | — | — | EP | disclosed |
| US-20130040950-A1 | MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN | VERSEON CORPORATION (US) | 2013-02-14 | — | — | US | disclosed |
| WO-2012019966-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | WO | disclosed |
| EP-1735319-A1 | INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2006-12-27 | — | — | EP | disclosed |
| WO-2005092899-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2005-10-06 | — | — | WO | disclosed |