SCHEMBL18459387

SCHEMBL18459387

NC1CCC(C[N+]2([O-])CCOCC2)CC1

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
SCHEMBL20843642 0.89
SCHEMBL17975424 0.81
SCHEMBL20843649 0.77 HPGD (0.36)
SCHEMBL20017757 0.77
SCHEMBL12682831 0.74
SCHEMBL12958901 0.72
SCHEMBL20843644 0.70
SCHEMBL9508592 0.67 THRB (0.33)
SCHEMBL18459304 0.67 HPGD (0.34)
SCHEMBL18872638 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4209130-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE ANIMAL FEED AND METHODS OF PRODUCING THEREOF DSM Nutritional Products, LLC (US) 2023-07-12 EP disclosed
EP-4205553-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE ANIMAL FEED AND METHODS OF PRODUCING THEREOF DSM Nutritional Products, LLC (US) 2023-07-05 EP disclosed
EP-3459975-A1 POLYMERIC ACID CATALYSTS AND USES THEREOF Cadena Bio, Inc. (US) 2019-03-27 EP disclosed
EP-2681247-B1 Polymers containing an acid group and their use as a catalyst CADENA BIO INC (US) 2018-04-04 EP disclosed
WO-2016122887-A9 OLIGOSACCHARIDE COMPOSITIONS FOR USE ANIMAL FEED AND METHODS OF PRODUCING THEREOF MIDORI USA, INC. (US) 2017-02-02 WO disclosed