SCHEMBL94536

SCHEMBL94536

[CH2]C(C)c1cccs1

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
SCHEMBL11329381 0.79
SCHEMBL5063737 0.79 CES2 (0.47)
SCHEMBL2030838 0.79 ALOX5 (0.47)
SCHEMBL79717 0.79
SCHEMBL8587037 0.77
Ammonia Solution, Strong SCHEMBL355659 0.77
SCHEMBL10465316 0.75
SCHEMBL4169741 0.75
SCHEMBL6897415 0.75
SCHEMBL8559825 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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109422765-B C-class beta-lactamase inhibitor and preparation method and application thereof 香港理工大学深圳研究院 2020-08-28 CN claimed
CN-103373969-B Phenyl azoles ring substituted amide compounds and its production and use SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-09-16 CN claimed
EP-1555266-B1 REMEDIES OR PREVENTIVES FOR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP TORAY INDUSTRIES (JP) 2014-05-21 EP claimed
CN-103373969-A Phenyl imidazole ring-substituted amide compounds as well as preparation method and application for same SHANGHAI INST ORGANIC CHEM 2013-10-30 CN claimed
US-20100137440-A1 LYSINE RIBOSWITCHES, STRUCTURE-BASED COMPOUND DESIGN WITH LYSINE RIBOSWITCHES, AND METHODS AND COMPOSITIONS FOR USE OF AND WITH LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2010-06-03 US claimed
EP-2061799-A2 METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2009-05-27 EP claimed
US-20090005364-A1 Azole Derivatives With Antimuscarinic Activity CHIESI FARMACEUTICI S.P.A. (IT) 2009-01-01 US claimed
WO-2008033866-A2 METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2008-03-20 WO claimed
US-7320984-B2 Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group TORAY INDUSTRIES, INC. (JP) 2008-01-22 US claimed
CN-101087775-A Azole derivatives with antimuscarinic activity CHIESI FARMA SPA (IT) 2007-12-12 CN claimed
EP-1828163-A2 AZOLE DERIVATIVES WITH ANTIMUSCARINIC ACTIVITY CHIESI FARMACEUTICI S.p.A. (IT) 2007-09-05 EP claimed
WO-2006066924-A2 AZOLE DERIVATIVES WITH ANTIMUSCARINIC ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2006-06-29 WO claimed
US-20060040970-A1 Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group TORAY INDUSTRIES, INC. (JP) 2006-02-23 US claimed
EP-1555266-A1 REMEDIES OR PREVENTIVES FOR URINARY FREQUENCY OR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP TORAY INDUSTRIES, INC. (JP) 2005-07-20 EP claimed
WO-2002048102-A2 ISOCOUMARIN INHIBITING PRODUCTION OF AMYLOID PEPTIDE, PREPARATION, COMPOSITIONS CONTAINING SAME AND USES TROPHOS (FR) 2002-06-20 WO claimed
EP-0617618-A1 ARYL-TRIFLATES AND RELATED COMPOUNDS WIKSTRÖM, Hakan Vilhelm (NL) 1994-10-05 EP claimed
WO-1993011761-A1 ARYL-TRIFLATES AND RELATED COMPOUNDS H. LUNDBECK A/S (DK) 1993-06-24 WO claimed
CN-109422765-B C-class beta-lactamase inhibitor and preparation method and application thereof 香港理工大学深圳研究院 2020-08-28 CN disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
CN-85103527-A Preparation N, the method for the disubstituted 2-hydroxyindole of 3--1-hydroxyalkyl cooh amide 1987-01-28 CN disclosed