SCHEMBL1816746

SCHEMBL1816746

CC1=CC(=O)C(=O)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
SCHEMBL14436603 0.81 MAPT (0.38)
SCHEMBL19429643 0.79 MAPT (0.41)
SCHEMBL14447243 0.79 MAPT (0.37)
SCHEMBL12754949 0.77 MAPT (0.46)
SCHEMBL19403808 0.76 POLB (0.42)
SCHEMBL17179142 0.72
SCHEMBL843842 0.71 MAPT (0.61)
SCHEMBL843843 0.71 MAPT (0.61)
SCHEMBL9925432 0.71 MAPT (0.61)
SCHEMBL7030472 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9347066-B2 Plants and seeds with altered storage compound levels, related constructs and methods involving genes encoding proteins with similarity to bacterial 2,4-dihydroxy-hept-2-ene-1,7-dioic acid class II-like aldolase proteins CORTEVA AGRISCIENCE LLC 2016-05-24 US disclosed
US-20130111633-A1 PLANTS AND SEEDS WITH ALTERED STORAGE COMPOUND LEVELS, RELATED CONSTRUCTS AND METHODS INVOLVING GENES ENCODING PROTEINS WITH SIMILARITY TO BACTERIAL 2,4-DIHYDROXY-HEPT-2-ENE-1,7-DIOIC ACID CLASS II-LIKE ALDOLASE PROTEINS E.I. DU PONT DE NEMOOURS AND COMPANY (US) 2013-05-02 US disclosed
EP-2494043-A2 PLANTS AND SEEDS WITH ALTERED STORAGE COMPOUND LEVELS, RELATED CONSTRUCTS AND METHODS INVOLVING GENES ENCODING PROTEINS WITH SIMILARITY TO BACTERIAL 2,4-DIHYDROXY-HEPT-2-ENE-1,7-DIOIC ACID CLASS II-LIKE ALDOLASE PROTEINS E. I. du Pont de Nemours and Company (US) 2012-09-05 EP disclosed
WO-2011053898-A2 PLANTS AND SEEDS WITH ALTERED STORAGE COMPOUND LEVELS, RELATED CONSTRUCTS AND METHODS INVOLVING GENES ENCODING PROTEINS WITH SIMILARITY TO BACTERIAL 2,4-DIHYDROXY-HEPT-2-ENE-1,7-DIOIC ACID CLASS II-LIKE ALDOLASE PROTEINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-05 WO disclosed