SCHEMBL5084504

SCHEMBL5084504

CC1(C)CCCC(C)(C)N1[O].N#[O+]

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6492 0.91 TSHR (0.39) TSHRNFKB1CYP2C19
Hno SCHEMBL15954661 0.86 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL6567522 0.85 TSHR (0.34) TSHRNFKB1CYP2C19
Hypochlorous Acid SCHEMBL15633664 0.83 TSHR (0.40) TSHRNFKB1CYP2C19
SCHEMBL1082541 0.81 TSHR (0.43) TSHRNFKB1CYP2C19
SCHEMBL6628615 0.81 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL5096697 0.81 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL2363259 0.81 TSHR (0.43) TSHRNFKB1CYP2C19
Phosphoric Acid SCHEMBL6824270 0.79 TSHR (0.38) TSHRNFKB1CYP2C19
SCHEMBL93390 0.78

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-1807513-B1 METHOD FOR THE PREPARATION OF CROSS-LINKED ENZYME AGGREGATES WITH IMPROVED PROPERTIES CLEA TECHNOLOGIES BV (NL) 2016-08-17 EP disclosed
US-8835143-B2 Method for preparing hybrid cross-linked enzyme-silica aggregates CLEA TECHNOLOGIES BV (NL) 2014-09-16 US disclosed
US-20120149082-A1 Method For The Preparation Of Cross-Linked Enzyme Aggregates With Improved Properties CLEA TECHNOLOGIES BV (NL) 2012-06-14 US disclosed
US-20080296231-A1 Method for the Preparation of Cross-Linked Enzyme Aggregates with Improved Properties CLEA TECHNOLOGIES BV (NL) 2008-12-04 US disclosed
EP-1807513-A2 METHOD FOR THE PREPARATION OF CROSS-LINKED ENZYME AGGREGATES WITH IMPROVED PROPERTIES Clea Technologies BV (NL) 2007-07-18 EP disclosed
WO-2006046865-A2 METHOD FOR THE PREPARATION OF CROSS-LINKED ENZYME AGGREGATES WITH IMPROVED PROPERTIES CLEA TECHNOLOGIES BV (NL) 2006-05-04 WO disclosed