SCHEMBL6575691

SCHEMBL6575691

COC(CCCNc1nc(NCCCC(OC)OC)nc(NCCCC(OC)OC)n1)OC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.37
SLC29A1 Q99808 1/20 0.36
KMT2A Q03164 1/20 0.35
GBA1 P04062 1/20 0.33

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
SCHEMBL9008390 0.80 SLC29A1 (0.38) KCNH3CYP1A2CYP2C19TSHRSLC29A1
SCHEMBL9008416 0.73 SLC29A1 (0.50) KCNH3SLC29A1KMT2AGBA1
SCHEMBL9008414 0.73 HTR7 (0.39) TSHRKMT2A
SCHEMBL6575534 0.73 ESR1 (0.39) KCNH3CYP1A2CYP2C19KMT2A
SCHEMBL9505742 0.72 TSHR (0.41) KCNH3TSHRSLC29A1KMT2A
SCHEMBL8029566 0.72 CYP2C19 (0.35) CYP1A2CYP2C19TSHRKMT2A
SCHEMBL11345327 0.71 KCNH3 (0.64) KCNH3CYP1A2CYP2C19TSHRKMT2A
SCHEMBL3842708 0.71 MAPT (0.57) KCNH3CYP1A2CYP2C19KMT2A
SCHEMBL1120392 0.70 HTR2A (0.40)
SCHEMBL9008403 0.70 TLR8 (0.39) TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817776-B1 FORMALDEHYDE-FREE 1,3,5-TRIAZINE BASED CROSSLINKERS CYTEC TECH CORP (US) 2004-05-06 EP disclosed
US-5783642-A Coating compositions containing 1,3,5-triazine compounds substituted with acetal and/or cyclized acetal-based groups CYTEC INDUSTRIES INC. (US) 1998-07-21 US disclosed
US-5777040-A Curable compositions containing 1,3,5-triazine compounds substituted with acetal and/or cyclized acetal-based groups CYTEC TECHNOLOGY CORP. (US) 1998-07-07 US disclosed
EP-0817776-A1 FORMALDEHYDE-FREE 1,3,5-TRIAZINE BASED CROSSLINKERS CYTEC TECHNOLOGY CORP. (US) 1998-01-14 EP disclosed
US-5672703-A CURING AGENTS CYTEC TECHNOLOGY CORP. (US) 1997-09-30 US disclosed
WO-1996029318-A1 FORMALDEHYDE-FREE 1,3,5-TRIAZINE BASED CROSSLINKERS CYTEC TECHNOLOGY CORP. (US) 1996-09-26 WO disclosed