SCHEMBL89138

SCHEMBL89138

Cc1cc(N(CC=CO)CC=CO)cc(C)c1C

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
SCHEMBL90526 0.82 ALDH1A1 (0.33)
SCHEMBL11286675 0.81 ALDH1A1 (0.42)
SCHEMBL175063 0.73 ALDH1A1 (0.44)
SCHEMBL14379373 0.69 S100B (0.54)
SCHEMBL460383 0.68 TSHR (0.38)
SCHEMBL6226015 0.68 MAPT (0.44)
SCHEMBL7047586 0.67 CNR1 (0.41)
SCHEMBL11466649 0.65 ALDH1A1 (0.48)
SCHEMBL7698213 0.65 TSHR (0.48)
SCHEMBL26418261 0.64 MAPT (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129444-B2 Self-adhesive dental materials 3M ESPE AG (DE) 2012-03-06 US claimed
WO-2024121658-A1 SURFACE-TREATED FILLER, DENTAL COMPOSITION CONTAINING SUCH A FILLER, PROCESS OF PRODUCTION AND USE THEREOF SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-06-13 WO disclosed
US-11998417-B2 Process for producing a surface-modified dental article SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-06-04 US disclosed
US-11992539-B2 Curable dental compositions and uses thereof SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-05-28 US disclosed
EP-4362881-A1 DENTAL CEMENT COMPOSITION, KIT OF PARTS AND USE THEREOF 3M Innovative Properties Company (US) 2024-05-08 EP disclosed
WO-2024057144-A1 DENTAL PRODUCT WITH REDUCED EXTRUSION FORCES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-03-21 WO disclosed
US-20230404861-A1 CURABLE DENTAL COMPOSITIONS AND USES THEREOF SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-12-21 US disclosed
EP-4251117-A1 CURABLE DENTAL COMPOSITIONS AND USES THEREOF 3M Innovative Properties Company (US) 2023-10-04 EP disclosed
US-20230225829-A1 PROCESS FOR PRODUCING A SURFACE-MODIFIED DENTAL ARTICLE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-07-20 US disclosed
WO-2023275637-A1 DENTAL CEMENT COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-01-05 WO disclosed
EP-1242493-A1 RADICALLY CURABLE URETHANE PREPOLYMERS AND THEIR USE IN DENTAL MATERIALS ESPE Dental AG (DE) 2002-09-25 EP disclosed
EP-1222220-A1 FILLER FOR PLASTIC FORMULATIONS BASED ON POLYURETHANE 3M Espe AG (DE) 2002-07-17 EP disclosed
US-6403671-B1 DENTISTRY ESPE DENTAL AG (DE) 2002-06-11 US disclosed
WO-2002041846-A2 USE OF BRANCHED POLYACIDS IN DENTAL COMPOUNDS 3M ESPE AG (DE) 2002-05-30 WO disclosed
WO-2002041845-A1 UTILIZATION OF POLYACIDS HAVING A TIGHT MOLAR MASS DISTRIBUTION 3M ESPE AG (DE) 2002-05-30 WO disclosed
WO-2001044338-A1 RADICALLY CURABLE URETHANE PREPOLYMERS AND THEIR USE IN DENTAL MATERIALS 3M ESPE AG (DE) 2001-06-21 WO disclosed
WO-2001018085-A1 FILLER FOR PLASTIC FORMULATIONS BASED ON POLYURETHANE 3M ESPE AG (DE) 2001-03-15 WO disclosed
EP-1027377-A1 POLYMERIZABLE COMPOSITION AND THE APPLICATION THEREOF AS A COUPLING AGENT ESPE Dental AG (DE) 2000-08-16 EP disclosed
WO-1999024477-A1 POLYMERIZABLE COMPOSITION AND THE APPLICATION THEREOF AS A COUPLING AGENT ESPE DENTAL AG (DE) 1999-05-20 WO disclosed
EP-0717977-A2 Fluoride releasing dental composite material THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1996-06-26 EP disclosed