SCHEMBL7911642

SCHEMBL7911642

C=CCC(F)CCCCCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
MAPT P10636 1/20 0.41
CES2 O00748 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 1/20 0.36
DNM1 Q05193 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
GPR84 Q9NQS5 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
SCHEMBL7169364 0.91
SCHEMBL2134849 0.81
SCHEMBL14646646 0.81 TSHR (0.54) TSHRMAPTALDH1A1LMNADNM1
SCHEMBL5573755 0.80 MAPT (0.42) TSHRMAPTCES2LMNADNM1
SCHEMBL11518919 0.78 MAPT (0.41) TSHRMAPTCES2LMNADNM1
SCHEMBL14646606 0.78 MAPT (0.41) TSHRMAPTCES2ALDH1A1LMNA
SCHEMBL24926247 0.78 MAPT (0.52) TSHRMAPTCES2LMNADNM1
SCHEMBL18725210 0.78 MAPT (0.52) TSHRMAPTCES2LMNADNM1
SCHEMBL19026469 0.78 MAPT (0.52) TSHRMAPTCES2LMNADNM1
SCHEMBL10608053 0.78 MAPT (0.52) TSHRMAPTCES2LMNADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100338175-C Chiral liquid crystal compounds having fluorine-containing terminal moieties MINNESOTA MINING & MFG (US) 2007-09-19 CN disclosed
CN-1326494-A Chiral liquid crystal compounds having fluorinated terminal portion MINNESOTA MINING & MFG (US) 2001-12-12 CN disclosed
EP-1135450-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-09-26 EP disclosed
US-6139924-A CONTAINING A PYRIMIDINE RING 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-10-31 US disclosed
WO-2000031210-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-06-02 WO disclosed