SCHEMBL2581977

SCHEMBL2581977

Cc1ncc(=O)[nH]c1N

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
SCHEMBL13500419 0.76
SCHEMBL16631743 0.73
SCHEMBL10326296 0.68 ALDH1A1 (0.37)
SCHEMBL18081736 0.68 CYP1A2 (0.31)
SCHEMBL2578747 0.68
SCHEMBL392723 0.68 ALDH1A1 (0.49)
SCHEMBL18081924 0.67 MAPKAPK2 (0.33)
SCHEMBL34473127 0.64 KDM4E (0.41)
SCHEMBL16631969 0.64
SCHEMBL30443184 0.64 CA1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-9885035-B2 Method for the synthesis of a bifunctional complex NUEVOLUTION A/S (DK) 2018-02-06 US disclosed
US-9574189-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2017-02-21 US disclosed
US-20170009225-A1 METHOD FOR THE SYNTHESIS OF A BIFUNCTIONAL COMPLEX NUEVOLUTION A/S (DK) 2017-01-12 US disclosed
US-9487775-B2 Method for the synthesis of a bifunctional complex NUEVOLUTION A/S (DK) 2016-11-08 US disclosed
US-20160083720-A1 METHOD FOR THE SYNTHESIS OF A BIFUNCTIONAL COMPLEX NUEVOLUTION A/S (DK) 2016-03-24 US disclosed
US-9284600-B2 Method for the synthesis of a bifunctional complex Neuvolution A/S (DK) 2016-03-15 US disclosed
US-20150252360-A1 METHOD FOR SYNTHESISING TEMPLATED MOLECULES NUEVOLUTION A/S (DK) 2015-09-10 US disclosed
US-9109248-B2 Method for the synthesis of a bifunctional complex NUEVOLUTION A/S (DK) 2015-08-18 US disclosed
US-9096951-B2 Method for producing second-generation library NUEVOLUTION A/S (DK) 2015-08-04 US disclosed
US-8053212-B1 Non-standard nucleoside analogs with reduced epimerization BENNER STEVEN ALBERT 2011-11-08 US disclosed
US-7915201-B2 Ligational encoding of small molecules NUEVOLUTION A/S (DK) 2011-03-29 US disclosed
US-7741294-B1 Non-standard nucleobases implementing the isocytidine and isoguanosine hydrogen bonding patterns BENNER STEVEN ALBERT 2010-06-22 US disclosed
US-7666851-B1 Three ring fused analogs of isoguanosine BENNER STEVEN ALBERT 2010-02-23 US disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
US-20090239211-A1 Method For Enrichment Involving Elimination By Mismatch Hybridisation NUEVOLUTION A/S (DK) 2009-09-24 US disclosed
US-20090143232-A1 METHOD FOR SYNTHESISING TEMPLATED MOLECULES NUEVOLUTION A/S (DK) 2009-06-04 US disclosed
US-20080305957-A1 Method for Obtaining Structural Information Concerning an Encoded Molecule and Method for Selecting Compounds NUEVOLUTION A/S (DK) 2008-12-11 US disclosed
US-7413854-B2 Method for synthesising templated molecules NUEVOLUTION A/S (DK) 2008-08-19 US disclosed
US-20070026397-A1 Method for producing second-generation library NUEVOLUTION A/S (DK) 2007-02-01 US disclosed