⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27706609 | 0.81 | — | — | |
| SCHEMBL9899792 | 0.76 | — | — | |
| SCHEMBL248293 | 0.72 | — | — | |
| SCHEMBL22833170 | 0.72 | — | — | |
| SCHEMBL5757035 | 0.72 | ACACB (0.30) | — | |
| SCHEMBL724318 | 0.72 | — | — | |
| SCHEMBL6716598 | 0.72 | — | — | |
| SCHEMBL1627811 | 0.69 | — | — | |
| SCHEMBL21166121 | 0.69 | — | — | |
| SCHEMBL1161169 | 0.69 | KDM4E (0.31) | — |
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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115093408-A | Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections | 盐野义制药株式会社 | 2022-09-23 | — | — | CN | disclosed |
| EP-3412663-B1 | NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2022-09-07 | — | — | EP | disclosed |
| US-20220235047-A1 | A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE | SHIONOGI & CO., LTD. (JP) | 2022-07-28 | — | — | US | disclosed |
| EP-4028130-A1 | BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION | Shionogi & Co., Ltd (JP) | 2022-07-20 | — | — | EP | disclosed |
| WO-2022119899-A1 | A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN | SHIONOGI & CO., LTD. (JP) | 2022-06-09 | — | — | WO | disclosed |
| CN-114401965-A | Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections | 盐野义制药株式会社 | 2022-04-26 | — | — | CN | disclosed |
| EP-3976031-A1 | A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE | Shionogi & Co., Ltd (JP) | 2022-04-06 | — | — | EP | disclosed |
| EP-3330256-B1 | HETEROCYCLIC DERIVATIVE HAVING TrkA-INHIBITING ACTIVITY | SHIONOGI & CO (JP) | 2021-06-16 | — | — | EP | disclosed |
| US-11008320-B2 | Nitrogen-containing heterocycle and carbocycle derivatives having TrkA inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2021-05-18 | — | — | US | disclosed |
| WO-2021050708-A1 | BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION | SHIONOGI & CO., LTD. (JP) | 2021-03-18 | — | — | WO | disclosed |
| EP-2832731-A1 | AROMATIC HETEROCYCLIC FIVE-MEMBERED RING DERIVATIVE HAVING TRPV4 INHIBITORY ACTIVITY | Shionogi & Co., Ltd. (JP) | 2015-02-04 | — | — | EP | disclosed |
| US-20140275074-A1 | HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2014-09-18 | — | — | US | disclosed |
| US-20140249306-A1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2014-09-04 | — | — | US | disclosed |
| EP-2772480-A1 | HIV REPLICATION INHIBITOR | Shionogi & Co., Ltd. (JP) | 2014-09-03 | — | — | EP | disclosed |
| EP-2752410-A1 | HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY | Shionogi & Co., Ltd. (JP) | 2014-07-09 | — | — | EP | disclosed |
| WO-2014065434-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2014-05-01 | — | — | WO | disclosed |
| US-20040127433-A1 | excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria | HOKURIKU SEIYAKU CO., LTD. (JP) | 2004-07-01 | — | — | US | disclosed |
| EP-1323726-A1 | ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME | HOKURIKU SEIYAKU CO., LTD. (JP) | 2003-07-02 | — | — | EP | disclosed |
| US-5912352-A | CATALYTIC REDUCTION OF HYDRAZIDE TO HYDRAZINE DERIVATIVE IN PRESENCE OF COMPLEX HYDRIDE; ACYL MIGRATION; HYDROGENATION; CATALYST SELECTIVITY | NOVARTIS FINANCE CORPORATION (US) | 1999-06-15 | — | — | US | disclosed |
| WO-1997046514-A1 | PROCESS FOR THE PREPARATION OF HYDRAZINE DERIVATIVES USEFUL AS INTERMEDIATES FOR THE PREPARATION OF PEPTIDE ANALOGUES | NOVARTIS AG (CH) | 1997-12-11 | — | — | WO | disclosed |