⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5496277 | 0.75 | ABCG2 (0.36) | — | |
| SCHEMBL5229799 | 0.66 | CA12 (0.36) | — | |
| SCHEMBL7600 | 0.64 | — | — | |
| SCHEMBL3991516 | 0.64 | CYP2A6 (0.31) | — | |
| SCHEMBL1157150 | 0.64 | CALM1 (0.32) | — | |
| SCHEMBL11443030 | 0.63 | — | — | |
| SCHEMBL12430552 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL493721 | 0.59 | — | — | |
| SCHEMBL6201505 | 0.56 | CFTR (0.35) | — | |
| Biphenyl SCHEMBL6297474 | 0.56 | ALDH1A1 (0.53) | — |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025076059-A1 | ROCAGLATE DERIVATIVES AND USES THEREOF | TRUSTEES OF BOSTON UNIVERSITY (US) | 2025-04-10 | — | — | WO | claimed |
| EP-3426634-A1 | DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | University of Ljubljana (SI) | 2019-01-16 | — | — | EP | claimed |
| WO-2018055096-A1 | DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | UNIVERSITY OF LJUBLJANA (SI) | 2018-03-29 | — | — | WO | claimed |
| US-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | SHIONOGI & CO., LTD. (JP) | 2013-08-29 | — | — | US | claimed |
| EP-2604260-A1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | Shionogi&Co., Ltd. (JP) | 2013-06-19 | — | — | EP | claimed |
| US-12612395-B2 | Rocaglate derivatives and uses thereof | TRUSTEES OF BOSTON UNIVERSITY (US) | 2026-04-28 | — | — | US | disclosed |
| EP-4598931-A1 | COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING | JAGUAHR THERAPEUTICS PTE LTD (SG) | 2025-08-13 | — | — | EP | disclosed |
| US-12326385-B2 | Cell-permeable fluorogenic fluorophores | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2025-06-10 | — | — | US | disclosed |
| CN-119948035-A | Compounds useful for modulating AhR signaling | 捷豹治疗有限公司 | 2025-05-06 | — | — | CN | disclosed |
| WO-2025078654-A1 | ANTIBACTERIAL COMPOUNDS | VEIRULENCE LTD (GB) | 2025-04-17 | — | — | WO | disclosed |
| US-20250115593-A1 | ROCAGLATE DERIVATIVES AND USES THEREOF | TRUSTEES OF BOSTON UNIVERSITY (US) | 2025-04-10 | — | — | US | disclosed |
| WO-2025076059-A1 | ROCAGLATE DERIVATIVES AND USES THEREOF | TRUSTEES OF BOSTON UNIVERSITY (US) | 2025-04-10 | — | — | WO | disclosed |
| US-9212130-B2 | Heterocyclic derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2015-12-15 | — | — | US | disclosed |
| US-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | SHIONOGI & CO., LTD. (JP) | 2013-08-29 | — | — | US | disclosed |
| EP-2604260-A1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | Shionogi&Co., Ltd. (JP) | 2013-06-19 | — | — | EP | disclosed |
| WO-2003054145-A2 | DINUCLEAR COPPER-BASED COMPOUND AND LIGAND FOR NUCLEIC ACID SCISSION AND ANTICANCER TREATMENT | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2003-07-03 | — | — | WO | disclosed |
| WO-2003052058-A2 | DINUCLEAR COPPER-BASED COMPOUND AND LIGAND FOR NUCLEIC ACID SCISSION AND ANTICANCER TREATMENT | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2003-06-26 | — | — | WO | disclosed |
| WO-2002095050-A2 | TRINUCLEAR COPPER-BASED COMPOUND AND LIGAND FOR NUCLEIC ACID SCISSION AND ANTICANCER TREATMENT | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2002-11-28 | — | — | WO | disclosed |
| CN-1202800-A | Herbicidal composition | NOVARTIS AG (CH) | 1998-12-23 | — | — | CN | disclosed |
| CN-1144526-A | Thiazolidines and oxazolidines substituted by pyridine ring and their use a hypoglycemic agents | NISSAN CHEMICAL IND LTD (JP) | 1997-03-05 | — | — | CN | disclosed |