SCHEMBL845040

SCHEMBL845040

CC(C)(O)C(C)(C)O.OBOC(Cl)CCCBr

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
SCHEMBL7371435 0.95
Hydrochloric Acid SCHEMBL7369747 0.81
SCHEMBL844834 0.79
Hydrochloric Acid SCHEMBL7371696 0.76
SCHEMBL9561979 0.72
SCHEMBL7367723 0.72
SCHEMBL8391263 0.69
SCHEMBL844313 0.67
Hydrochloric Acid SCHEMBL7371204 0.67
SCHEMBL7375603 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000857-A1 Method of Regulating Glucose Metabolism, and Reagents Related Thereto NATIONAL INSTITUTES OF HEALTH 2016-01-07 US disclosed
US-9044424-B2 Methods of regulating glucose metabolism, and reagents related thereto 1149336 ONTARIO, INC. (CA) 2015-06-02 US disclosed
EP-2823812-A1 Dipeptidylpeptidase IV inhibitors for use in the treatment of Type II diabetes TRUSTEES OF TUFTS COLLEGE (US) 2015-01-14 EP disclosed
EP-2769715-A2 Methods for treating autoimmune disorders, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2014-08-27 EP disclosed
US-20140178472-A1 Methods of Regulating Glucose Metabolism, and Reagents Related Thereto TRUSTEES OF TUFTS COLLEGE (US) 2014-06-26 US disclosed
US-8513190-B2 Method of regulating glucose metabolism, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2013-08-20 US disclosed
EP-2583675-A1 Use of dipeptidylpeptidase inhibitors to regulate glucose metabolism TRUSTEES OF TUFTS COLLEGE (US) 2013-04-24 EP disclosed
EP-2574336-A1 Use of dipeptidylpeptidase inhibitors to regulate glucose metabolism TRUSTEES OF TUFTS COLLEGE (US) 2013-04-03 EP disclosed
US-8410053-B2 Methods for treating autoimmune disorders, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2013-04-02 US disclosed
US-8318669-B2 Method of regulating glucose metabolism, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2012-11-27 US disclosed
US-5242904-A Anticoagulant, antiinflammatory THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1993-09-07 US disclosed
WO-1993008259-A2 INHIBITORS OF DIPEPTIDYL-AMINOPEPTIDASE TYPE IV NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. (US) 1993-04-29 WO disclosed
EP-0528858-A4 INHIBITORS OF DIPEPTIDYL-AMINOPEPTIDASE TYPE IV 1993-04-28 EP disclosed
EP-0293881-B1 PEPTIDE BORONIC ACID INHIBITORS OF TRYPSIN-LIKE PROTEASES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-10 EP disclosed
EP-0528858-A1 INHIBITORS OF DIPEPTIDYL-AMINOPEPTIDASE TYPE IV. NEW ENGLAND MEDICAL CENTER INC (US) 1993-03-03 EP disclosed
US-5187157-A Anticoagulant, antiinflammatory agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-02-16 US disclosed
WO-1991016339-A1 INHIBITORS OF DIPEPTIDYL-AMINOPEPTIDASE TYPE IV NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. (US) 1991-10-31 WO disclosed
US-4935493-A Protease inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-06-19 US disclosed
WO-1989003223-A1 PROTEASE INHIBITORS BACHOVCHIN WILLIAM W (US) 1989-04-20 WO disclosed
EP-0293881-A2 Peptide boronic acid inhibitors of trypsin-like proteases THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-12-07 EP disclosed