SCHEMBL6567522

SCHEMBL6567522

CC1(C)CCCCC(C)(C)N1[O]

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34

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 0.93 TSHR (0.39) TSHRNFKB1CYP2C19
Hno SCHEMBL15954661 0.88 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL93390 0.86
SCHEMBL5084504 0.85 TSHR (0.35) TSHRNFKB1CYP2C19
Hypochlorous Acid SCHEMBL15633664 0.85 TSHR (0.40) TSHRNFKB1CYP2C19
SCHEMBL2363259 0.83 TSHR (0.43) TSHRNFKB1CYP2C19
SCHEMBL5096697 0.83 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL6628615 0.83 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL1082541 0.83 TSHR (0.43) TSHRNFKB1CYP2C19
Phosphoric Acid SCHEMBL6824270 0.81 TSHR (0.38) TSHRNFKB1CYP2C19

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
US-6265499-B1 POLYMERIZING MIXTURE MENICON CO., LTD. (JP) 2001-07-24 US claimed
EP-0921134-B1 Process for producing a shaped product MENICON CO LTD (JP) 2004-04-07 EP disclosed
US-6569968-B1 Using polymerization catalyst KURITA WATER INDUSTRIES LTD. (JP) 2003-05-27 US disclosed
US-6265499-B1 POLYMERIZING MIXTURE MENICON CO., LTD. (JP) 2001-07-24 US disclosed
EP-1077200-A2 Polymer of a water-soluble radical-polymerizable monomer, process for producing the polymer and flocculant comprising the polymer KURITA WATER INDUSTRIES LTD. (JP) 2001-02-21 EP disclosed
EP-0921134-A1 Process for producing a shaped product Menicon Co., Ltd. (JP) 1999-06-09 EP disclosed