SCHEMBL4427437

SCHEMBL4427437

C[C@H](CBr)C(=O)O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL348640 1.00
SCHEMBL1684074 1.00
Hydrogen Sulfide SCHEMBL5437546 0.97
SCHEMBL3340031 0.97
Bromide SCHEMBL1671440 0.97
SCHEMBL10784233 0.82 ACE2 (0.50)
SCHEMBL540008 0.78 TRPA1 (0.37)
SCHEMBL364329 0.77
SCHEMBL5139179 0.76 GABRR1 (0.72)
SCHEMBL341804 0.75

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4341246-A1 A FACILE AND ODOR-FREE APPROACH TO CONVERT SULFONYL UREA DERIVATIVES TO CHALCOGENIDE SULFONYL UREA DERIVATIVES The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2024-03-27 EP claimed
EP-4341246-A1 A FACILE AND ODOR-FREE APPROACH TO CONVERT SULFONYL UREA DERIVATIVES TO CHALCOGENIDE SULFONYL UREA DERIVATIVES The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2024-03-27 EP disclosed
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-08-31 US disclosed
US-11618746-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-04 US disclosed
US-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SENDA BIOSCIENCES INC (US) 2022-02-10 US disclosed
EP-3897833-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2021-10-27 EP disclosed
EP-3891751-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION Senda Biosciences, Inc. (US) 2021-10-13 EP disclosed
US-11090283-B2 Solid forms of selective androgen receptor modulators UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2021-08-17 US disclosed
US-20210128513-A1 NON-INVASIVE METHOD OF EVALUATING BREAST CANCERS FOR SELECTIVE ANDROGEN RECEPTOR MODULATOR (SARM) THERAPY UN IVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2021-05-06 US disclosed
US-10987334-B2 Method of treating ER mutant expressing breast cancers with selective androgen receptor modulators (SARMs) UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2021-04-27 US disclosed
WO-2011085385-A1 METHODS OF TREATING MEIBOMIAN GLAND DYSFUNCTION GTX, INC. (US) 2011-07-14 WO disclosed
US-20090215985-A1 DIFFERENTIALLY PROTECTED ORTHOGONAL LANTHIONINE TECHNOLOGY ORAGENICS, INC. 2009-08-27 US disclosed
EP-1501804-B1 ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-08-26 EP disclosed
WO-2007027582-A2 TREATING RENAL DISEASE, BURNS, WOUNDS AND SPINAL CORD INJURY WITH SELECTIVE ANDROGEN RECEPTOR MODULATORS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-03-08 WO disclosed
EP-1501804-A1 ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
US-6818774-B2 2-(S)-(6-(4-FLUORO-BENZYLOXY)-3-OXO-3,4-DIHYDRO-1H-ISOQUINOLIN -2-YL)- PROPIONAMIDE FOR EXAMPLE; ALZHEIMER'S DISEASE OR SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-11-16 US disclosed
US-20030225122-A1 2-(S)-(6-(4-fluoro-benzyloxy)-3-oxo-3,4-dihydro-1H-isoquinolin -2-yl)- propionamide for example; Alzheimer's disease or senile dementia HOFFMANN-LA ROCHE INC. 2003-12-04 US disclosed
WO-2003091219-A1 ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-06 WO disclosed
US-5753660-A Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-05-19 US disclosed
CN-87104582-A The method of the heterogeneous ring compound of preparation acidylate 1988-01-20 CN disclosed