SCHEMBL6947537

SCHEMBL6947537

CC(CBr)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CA1 P00915 4/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
TACR1 P25103 5/20 0.47
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.42
SLC1A1 P43005 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6043015 1.00 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL9271921 1.00 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL14453899 0.88 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL27622931 0.85 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL27622929 0.85 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL9841231 0.83 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL10911338 0.83 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL11000847 0.83 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL9841232 0.83 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL10052366 0.82 TSHR (0.54) TSHRCA1CA2CA7CA9

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1162406-C Liquid crystal compounds having chiral fluorinated terminal portion 美国3M公司 2004-08-18 CN disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
EP-1042302-B1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING & MFG (US) 2003-09-24 EP disclosed
US-6309561-B1 Liquid crystal compounds having a chiral fluorinated terminal portion 3M INNOVATIVE PROPERTIES COMPANY 2001-10-30 US disclosed
CN-1283193-A Liquid crystal compounds having chiral fluorinated terminal portion MINNESOTA MINING & MFG (US) 2001-02-07 CN disclosed
CN-1031754-C Dithiane HOFFMANN LA ROCHE (CH) 1996-05-08 CN disclosed
US-5405866-A Administering with cytostatic drugs to treat drug resistant tumors HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
US-5389616-A Renin inhibitor, hypotensive agent HOFFMAN-LAROCHE INC. (US) 1995-02-14 US disclosed
US-5302727-A For use with antitumor agents HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
US-5256645-A Renin inhibitors; hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US disclosed
US-4172958-A Ethers of 2,6,10-trimethyl-undecan-1-ols HOFFMANN-LA ROCHE INC. (US) 1979-10-30 US disclosed
US-4169209-A Ethers of 2,6-dimethyl-octane-1,8-diols HOFFMANN-LA ROCHE INC. (US) 1979-09-25 US disclosed
US-4163021-A Synthesis of 2,6,10-trimethyl-undecan-1-ol HOFFMANN-LA ROCHE INC. (US) 1979-07-31 US disclosed
US-4151205-A Synthesis of vitamin E HOFFMAN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4140702-A Process for producing vitamin E intermediate compounds HOFFMANN-LA ROCHE INC. (US) 1979-02-20 US disclosed
US-4140723-A Intermediate compounds for producing vitamin E HOFFMANN-LA ROCHE INC. (US) 1979-02-20 US disclosed
US-4111961-A Silicon ester of carboxylic acid HOFFMANN-LA ROCHE INC. (US) 1978-09-05 US disclosed
US-4107183-A Synthesis of optically active carboxylic acid esters HOFFMANN-LA ROCHE INC. (US) 1978-08-15 US disclosed
US-4051153-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1977-09-27 US disclosed
US-4041058-A Synthesis of 2,6,10-trimethyl-undecan-1-ol HOFFMANN-LA ROCHE INC. (US) 1977-08-09 US disclosed