⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7600513 | 0.75 | — | — | |
| SCHEMBL405938 | 0.67 | TP53 (0.61) | — | |
| SCHEMBL2774033 | 0.67 | TP53 (0.61) | — | |
| SCHEMBL25173 | 0.67 | — | — | |
| SCHEMBL4640114 | 0.67 | TP53 (0.61) | — | |
| SCHEMBL5940223 | 0.67 | TP53 (0.61) | — | |
| SCHEMBL2531259 | 0.67 | TP53 (0.61) | — | |
| SCHEMBL109960 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL24113 | 0.67 | — | — | |
| SCHEMBL10857351 | 0.67 | — | — |
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 67 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 |
| CN-107428700-B | 9-membered fused ring derivative | 盐野义制药株式会社 | 2021-08-03 | — | — | CN | 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 |
| 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-5622953-A | DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |
| EP-0691962-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994022842-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1994-10-13 | — | — | WO | disclosed |
| US-4649149-A | ANTHELMINTICS | CIBA-GEIGY CORPORATION (US) | 1987-03-10 | — | — | US | disclosed |
| US-4518607-A | FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS | SYNTEX (U.S.A.) INC. (US) | 1985-05-21 | — | — | US | disclosed |
| US-4511567-A | ANTHELMINTICS | CIBA-GEIGY CORPORATION (US) | 1985-04-16 | — | — | US | disclosed |