SCHEMBL2682852

SCHEMBL2682852

NCCNCCNCCN(CCNC(CC(=O)O)C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.36
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL2684367 0.99 GGT1 (0.37) GGT1CYP2C9CYP2C19
SCHEMBL2684099 0.97 GGT1 (0.36) GGT1CYP2C9CYP2C19
SCHEMBL2133303 0.92 GGT1 (0.33) GGT1
SCHEMBL2130425 0.92 GGT1 (0.33) GGT1
SCHEMBL2132901 0.89 GGT1 (0.36) GGT1
SCHEMBL30437177 0.82 GGT1 (0.46) GGT1
SCHEMBL30370036 0.82 GGT1 (0.46) GGT1
SCHEMBL30437179 0.82 GGT1 (0.46) GGT1
SCHEMBL30436578 0.82 GGT1 (0.46) GGT1
SCHEMBL7861449 0.82 GGT1 (0.46) GGT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115759-A1 TREATMENT FLUIDS CONTAINING A BORON TRIFLUORIDE COMPLEX AND METHODS FOR USE THEREOF HALLIBURTON ENERGY SERVICES, INC. (US) 2012-05-10 US claimed
US-10448515-B2 Method for reducing the optical reflectivity of a copper and copper alloy circuitry and touch screen device ATOTECH DEUTSCHLAND GMBH (DE) 2019-10-15 US disclosed
US-5569443-A Method for removing hydrogen sulfide from a gas using polyamino disuccinic acid THE DOW CHEMICAL COMPANY (US) 1996-10-29 US disclosed