SCHEMBL4729116

SCHEMBL4729116

CC(C)(C)C1(O)CC1

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
SCHEMBL1090888 0.86
SCHEMBL12971961 0.86 OPRM1 (0.36)
SCHEMBL15116596 0.85 OPRM1 (0.33)
SCHEMBL579902 0.83 OPRM1 (0.35)
SCHEMBL15187736 0.83 OPRM1 (0.35)
Potassium SCHEMBL9297432 0.81 OPRM1 (0.34)
SCHEMBL15187738 0.81 OPRM1 (0.32)
SCHEMBL1090751 0.78 OPRM1 (0.33)
SCHEMBL1587067 0.78 OPRM1 (0.33)
SCHEMBL7752022 0.78 OPRM1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2023-11-23 US disclosed
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-10017482-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2018-07-10 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FORMA THERAPEUTICS, INC. 2017-11-02 US disclosed
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
US-7556908-B2 Chemically amplified positive resist composition, (meth)acrylate derivative and a process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-07 US disclosed
US-7468449-B2 Phenyl-furan compounds as vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
US-7449486-B2 Antiproliferative agents; anticancer agents; autoimmune disease; antiarthritic agents; graft versus host disease; inflammatory bowel disorders ARRAY BIOPHARMA INC. (US) 2008-11-11 US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 US disclosed
US-20080182992-A1 Antiproliferative agents; anticancer agents; antiinflammatry agents; restenosis; graft versus host disease; autoimmune disease; antiarthritic agents ARRAY BIOPHARMA, INC. 2008-07-31 US disclosed
EP-1692123-B1 PHENYL-FURAN COMPOUNDS AS VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2008-05-28 EP disclosed
US-20080119407-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY 2008-05-22 US disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 US disclosed
US-20070105951-A1 Phenyl-furan compounds as vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed