SCHEMBL5134897

SCHEMBL5134897

C=Cc1ccc(C(Br)C=C)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL7131921 0.87 CYP2C19 (0.30)
SCHEMBL941251 0.80 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8
SCHEMBL7131926 0.78 CYP2C19 (0.42) ALDH1A1
SCHEMBL5694907 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HDAC8
SCHEMBL830414 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HDAC8
SCHEMBL8166558 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HDAC8
SCHEMBL11210246 0.76 CHRNA7 (0.39) ALDH1A1TDP1
SCHEMBL277408 0.75 CES2 (0.41) ALDH1A1TSHR
SCHEMBL6946790 0.74 ALDH1A1 (0.65) ALDH1A1TSHRTDP1HDAC8
SCHEMBL7938802 0.73 CES2 (0.39) ALDH1A1TSHR

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
US-7385008-B2 Abrasion resistant elastomeric compositions EXXONMOBILE CHEMICAL PATENTS INC. (US) 2008-06-10 US disclosed
US-20080033101-A1 Abrasion Resistant Elastomeric Compositions EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US disclosed
US-7300981-B2 Abrasion resistant elastomeric compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-11-27 US disclosed
US-20050085594-A1 Abrasion resistant elastomeric compositions EXXONMOBIL CHEMICAL PATENTS INC. 2005-04-21 US disclosed
WO-2003011917-A1 METHOD OF CURING ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-02-13 WO disclosed