SCHEMBL13445267

SCHEMBL13445267

[N-]=[N+]=NC1C=CCCC1

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
SCHEMBL17696607 0.81
SCHEMBL9935099 0.74
SCHEMBL28048381 0.71
SCHEMBL20017367 0.71
SCHEMBL16691034 0.70
SCHEMBL14401832 0.70
SCHEMBL15366256 0.70
SCHEMBL13496740 0.70
SCHEMBL26913665 0.70
Hydrochloric Acid SCHEMBL11201539 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12275720-B2 Small molecule inhibitors of galectin-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-15 US disclosed
US-20230192672-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB (US) 2023-06-22 US disclosed
US-20230192672-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB (US) 2023-06-22 US disclosed
EP-4146646-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 Bristol-Myers Squibb Company (US) 2023-03-15 EP disclosed
CN-115551855-A Small molecule inhibitors of galectin-3 百时美施贵宝公司 2022-12-30 CN disclosed
WO-2021226002-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-11 WO disclosed
EP-2900665-B1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-01-03 EP disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
EP-2900665-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
CN-101014598-B Aminocyclohexanes as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME 2012-06-13 CN disclosed
US-20100069570-A1 Functionalization of Polymers ATRP Solutions, Inc. 2010-03-18 US disclosed
US-20100069570-A1 Functionalization of Polymers ATRP Solutions, Inc. 2010-03-18 US disclosed
CN-101014598-A Aminocyclohexanes as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2007-08-08 CN disclosed