SCHEMBL7802277

SCHEMBL7802277

CC1(C)CCCC(C)(C)N1OOP(O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
NFKB1 P19838 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
SCHEMBL7802278 0.77 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL28335232 0.74 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL3159770 0.69 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL1305578 0.68 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL6922841 0.67 TSHR (0.30) TSHRNFKB1CYP2C19
SCHEMBL28634092 0.67 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL1399122 0.67 TSHR (0.31) TSHRNFKB1CYP2C19
Pempidine SCHEMBL28926027 0.66 TSHR (0.58) TSHRNFKB1CYP2C19
SCHEMBL4747481 0.66 TSHR (0.32) TSHRNFKB1CYP2C19
Hydrochloric Acid SCHEMBL7623002 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685447-B2 Method for inhibiting polymerization of (meth)acrylic acid and esters thereof NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP claimed
EP-0685447-B1 Method for inhibiting polymerization of (meth)acrylic acid and esters thereof NIPPON CATALYTIC CHEM IND (JP) 1998-10-14 EP claimed
EP-0685447-A2 Method for inhibiting polymerization of (meth)acrylic acid and esters thereof NIPPON SHOKUBAI CO., LTD. (JP) 1995-12-06 EP claimed
CN-113348199-B Branched organosilicon compounds, methods of making branched organosilicon compounds, and copolymers formed therewith 美国陶氏有机硅公司 2023-02-17 CN disclosed
CN-108368021-B Method for producing ethylenically unsaturated carboxylic acid tert-butyl esters 巴斯夫欧洲公司 2021-10-15 CN disclosed
CN-108430965-B Method for producing (meth) acrylic acid 三菱化学株式会社 2021-03-16 CN disclosed
CN-107531609-B Process for preparing tert-butyl esters of aliphatic carboxylic acids 巴斯夫欧洲公司 2021-03-05 CN disclosed