⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL572114 | 1.00 | — | — | |
| SCHEMBL22616198 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL22616195 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL9912674 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL15787131 | 0.78 | PTGS1 (0.31) | — | |
| SCHEMBL3643168 | 0.78 | PTGS1 (0.31) | — | |
| SCHEMBL94290 | 0.78 | PTGS1 (0.31) | — | |
| SCHEMBL27241666 | 0.74 | — | — | |
| SCHEMBL27241670 | 0.74 | — | — | |
| SCHEMBL27241672 | 0.74 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7420087-B2 | Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2008-09-02 | — | — | US | claimed |
| US-20060205817-A1 | Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof | UNIVERSITE LOUIS PASTEUR (FR) | 2006-09-14 | — | — | US | claimed |
| US-11279719-B2 | Substituted bicyclic pyrimidine-based compounds and compositions and uses thereof | Tsantrizos, Youla S. (CA) | 2022-03-22 | — | — | US | disclosed |
| WO-2018137036-A1 | SUBSTITUTED BICYCLIC PYRIMIDINE-BASED COMPOUNDS AND COMPOSITIONS AND USES THEREOF | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) | 2018-08-02 | — | — | WO | disclosed |
| US-9844516-B2 | Sigma ligands for use in the prevention and/or treatment of post-operative pain | Laboratorios De Dr. Esteve (ES) | 2017-12-19 | — | — | US | disclosed |
| US-9789115-B2 | Use of sigma ligands in opioid-induced hyperalgesia | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-10-17 | — | — | US | disclosed |
| US-9782483-B2 | Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy | LABORATORIES DEL DR. ESTEVE, S.A. (ES) | 2017-10-10 | — | — | US | disclosed |
| US-20130324535-A1 | USE OF SIGMA LIGANDS IN BONE CANCER PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-12-05 | — | — | US | disclosed |
| EP-2646025-A1 | USE OF SIGMA LIGANDS IN BONE CANCER PAIN | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2013-10-09 | — | — | EP | disclosed |
| US-20130158033-A1 | USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-06-20 | — | — | US | disclosed |
| CN-103159668-A | 2-hydroxy-4-oxo-2-butenoic acid compound and pharmaceutical application thereof | TIANJIN INT JOINT ACADEMY BIOTECHNOLOGY & MEDICINE | 2013-06-19 | — | — | CN | disclosed |
| US-7420087-B2 | Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2008-09-02 | — | — | US | disclosed |
| WO-2007106450-A2 | DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE IN COMBINATION THERAPY | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2007-09-20 | — | — | WO | disclosed |
| US-20060205817-A1 | Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof | UNIVERSITE LOUIS PASTEUR (FR) | 2006-09-14 | — | — | US | disclosed |
| US-7098201-B2 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2006-08-29 | — | — | US | disclosed |
| US-20040002485-A1 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | FUJISHITA TOSHIO (JP) | 2004-01-01 | — | — | US | disclosed |
| US-6645956-B1 | 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment | SHIONOGI & CO., LTD. (JP) | 2003-11-11 | — | — | US | disclosed |
| US-6620841-B1 | Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) | SHIONOGI & CO., LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| CN-1335834-A | Aromatic heterocyclic compounds having HIV integrase inhibitory activity | SHIONOGI & CO (JP) | 2002-02-13 | — | — | CN | disclosed |
| EP-1142872-A1 | AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES | SHIONOGI & CO., LTD. (JP) | 2001-10-10 | — | — | EP | disclosed |