SCHEMBL1064666

SCHEMBL1064666

O=C(O)C1(S)CCCN1

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
SCHEMBL1064667 1.00
Hydrochloric Acid SCHEMBL5698097 0.98 ARG1 (0.36)
SCHEMBL774037 0.70 ARG1 (0.39)
SCHEMBL2183127 0.68
SCHEMBL19308 0.68
Hydrochloric Acid SCHEMBL16993455 0.68 ARG1 (0.38)
SCHEMBL313044 0.68
SCHEMBL22631470 0.68
SCHEMBL30593437 0.67 ARG1 (0.53)
Hydrochloric Acid SCHEMBL7981515 0.67 ARG1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916679-B2 Peptides binding to the dimer interface of thymidylate synthase for the treatment of cancer Universita′ degli Studi di Modena e Reggio Emilia (IT) 2014-12-23 US claimed
US-20120302511-A1 PEPTIDES BINDING TO THE DIMER INTERFACE OF THYMIDYLATE SYNTHASE FOR THE TREATMENT OF CANCER UNIVERSITA' DEGLI STUDI DI MODENA E REGGIO EMILIA (IT) 2012-11-29 US claimed
EP-2507255-A1 PEPTIDES BINDING TO THE DIMER INTERFACE OF THYMIDYLATE SYNTHASE FOR THE TREATMENT OF CANCER Universita' Degli Studi Di Modena E Reggio Emilia (IT) 2012-10-10 EP claimed
EP-2438925-A2 Compounds that modulate neuronal growth and their uses Wyeth LLC (US) 2012-04-11 EP claimed
WO-2011067624-A1 PEPTIDES BINDING TO THE DIMER INTERFACE OF THYMIDYLATE SYNTHASE FOR THE TREATMENT OF CANCER UNIVERSITA' DEGLI STUDI DI MODENA E REGGIO EMILIA (IT) 2011-06-09 WO claimed
EP-1663276-A4 COMPOUNDS THAT MODULATE NEURONAL GROWTH AND THEIR USES WYETH CORP (US) 2009-02-18 EP claimed
EP-0937103-B1 COMPOUNDS AND METHODS FOR MODULATING CELL ADHESION UNIV MCGILL (CA) 2007-11-28 EP claimed
US-7253149-B2 Compounds and methods for modulating cell-adhesion mediated drug resistance UNIVERSITY OF SOUTH FLORIDA (US) 2007-08-07 US claimed
EP-1042365-B1 COMPOUNDS AND METHODS FOR MODULATING OCCLUDIN RELATED TISSUE PERMEABILITY ADHEREX TECHNOLOGIES INC (CA) 2007-07-25 EP claimed
US-7138369-B2 Compounds and methods for modulating apoptosis MCGILL UNIVERSITY (CA) 2006-11-21 US claimed
EP-1097168-A2 COMPOUNDS AND METHODS FOR MODULATING CADHERIN-MEDIATED FUNCTIONS Adherex Technologies, Inc. (CA) 2001-05-09 EP claimed
US-6207639-B1 CONTACTING A NEURON WITH A CELL ADHESION MODULATING PEPTIDE THAT COMPRISES A CYCLIC PEPTIDE IN WHICH NONADJACENT AMINO ACID RESIDUES ARE COVALENTLY LINKED TO FORM A PEPTIDE RING COMPRISING SEQUENCE HIS-ALA-VAL WITHIN CYCLIC PEPTIDE RING MCGILL UNIVERSITY (CA) 2001-03-27 US claimed
EP-1042365-A1 COMPOUNDS AND METHODS FOR MODULATING OCCLUDIN RELATED TISSUE PERMEABILITY Adherex Technologies, Inc. (CA) 2000-10-11 EP claimed
WO-2000026360-A1 COMPOUNDS AND METHODS FOR MODULATING CLAUDIN-MEDIATED FUNCTIONS ADHEREX TECHNOLOGIES INC. (CA) 2000-05-11 WO claimed
US-6031072-A CYCLIC PEPTIDE WHICH MODULATES CADHERIN-MEDIATED PROCESSES; COMPRISING THE SEQUENCE HIS-ALA-VAL WITHIN A CYCLIC PEPTIDE RING THAT CONTAINS 4-15 AMINO ACIDS; FOR IMPROVED DRUG DELIVERY; ANTIMETASTASIS AGENTS MCGILL UNIVERSITY (CA) 2000-02-29 US claimed
WO-2000002917-A2 COMPOUNDS AND METHODS FOR MODULATING CADHERIN-MEDIATED FUNCTIONS ADHEREX TECHNOLOGIES, INC. (CA) 2000-01-20 WO claimed
EP-0937103-A2 COMPOUNDS AND METHODS FOR MODULATING CELL ADHESION McGILL UNIVERSITY (CA) 1999-08-25 EP claimed
WO-1999035166-A1 COMPOUNDS AND METHODS FOR MODULATING OCCLUDIN RELATED TISSUE PERMEABILITY ADHEREX TECHNOLOGIES INC. (CA) 1999-07-15 WO claimed
WO-1999033875-A1 COMPOUNDS AND METHODS FOR MODULATING SYNAPTIC STABILITY MCGILL UNIVERSITY (CA) 1999-07-08 WO claimed
WO-1998002452-A2 COMPOUNDS AND METHODS FOR MODULATING CELL ADHESION MCGILL UNIVERSITY (CA) 1998-01-22 WO claimed