SCHEMBL353860

SCHEMBL353860

COC1CCC(CO)O1

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
SCHEMBL353862 1.00
SCHEMBL3437088 1.00
SCHEMBL463486 1.00
SCHEMBL353861 1.00
SCHEMBL9680776 0.87
SCHEMBL9680769 0.87
SCHEMBL9679842 0.87
SCHEMBL9679837 0.87
SCHEMBL14568578 0.82
SCHEMBL16638826 0.79

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 US disclosed
US-9580392-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2017-02-28 US disclosed
US-9321775-B2 Compositions and methods for the treatment of moderate to severe pain CELLIX BIO PRIVATE LIMITED (IN) 2016-04-26 US disclosed
US-20150141479-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MODERATE TO SEVERE PAIN CELLIX BIO PRIVATE LIMITED (IN) 2015-05-21 US disclosed
US-20140343006-A1 HIV Replication Inhibiting Pyrimidines JANSSEN PHARMACEUTICA NV (NL) 2014-11-20 US disclosed
US-8486534-B2 Surface-modified polymer films BAR-ILAN UNIVERSITY (IL) 2013-07-16 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-8080551-B2 HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-20 US disclosed
US-20110306722-A1 SURFACE-MODIFIED POLYMER FILMS BAR-ILAN UNIVERSITY (IL) 2011-12-15 US disclosed
EP-2298761-A1 HIV inhibiting pyrimidines derivatives Janssen Pharmaceutica NV (BE) 2011-03-23 EP disclosed
US-7589081-B2 Nitrogen-containing monodentate phosphines and their use in catalysis DEGUSSA GMBH (DE) 2009-09-15 US disclosed
US-7579343-B2 Pyrrolo-thiazines and processes for the preparation and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-08-25 US disclosed
US-20070123707-A1 Nitrogen-containing monodentate phosphines and their use in catalysis DEGUSSA AG (DE) 2007-05-31 US disclosed
US-20070055062-A1 Pyrrolo-thiazines and processes for the preparation and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-03-08 US disclosed