⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26815026 | 0.82 | KDM4E (0.46) | — | |
| SCHEMBL75688 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28616495 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL31322960 | 0.77 | KDM4E (0.54) | — | |
| Hydrochloric Acid SCHEMBL17275441 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL7981606 | 0.76 | — | — | |
| SCHEMBL5261057 | 0.76 | — | — | |
| SCHEMBL9963438 | 0.76 | KDM4E (0.48) | — | |
| SCHEMBL2495803 | 0.76 | — | — | |
| SCHEMBL27670424 | 0.76 | KDM4E (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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4121044-A1 | ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2023-01-25 | — | — | EP | disclosed |
| 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 |
| WO-2017040606-A1 | ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PULMONARY DISEASES AND DISORDERS | PROTEOSTASIS THERAPEUTICS, INC. (US) | 2017-03-09 | — | — | WO | 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 |
| US-20130040950-A1 | MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN | VERSEON CORPORATION (US) | 2013-02-14 | — | — | US | disclosed |
| WO-2011126903-A2 | MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN | VERSEON, INC. (US) | 2011-10-13 | — | — | WO | disclosed |
| EP-1451161-A1 | IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS | Merck Sharp & Dohme Limited (GB) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003048132-A1 | IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2003-06-12 | — | — | WO | disclosed |