SCHEMBL7714249

SCHEMBL7714249

CC(C)(C)Oc1ccc(F)c(I)c1F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL24252041 0.81 HTR2C (0.34) KCNH2TMEM97SIGMAR1
SCHEMBL7632894 0.78
SCHEMBL16421053 0.76 KCNH2 (0.31) KCNH2TMEM97SIGMAR1
SCHEMBL7879035 0.76 KCNH2 (0.37) KCNH2TMEM97SIGMAR1
SCHEMBL7875743 0.72 SLC6A4 (0.39) KCNH2TMEM97SIGMAR1
SCHEMBL7711832 0.72 HTR2C (0.32)
SCHEMBL13019837 0.71 SLC6A2 (0.43) KCNH2TMEM97SIGMAR1
SCHEMBL22279635 0.69 KCNH2 (0.37) KCNH2TMEM97SIGMAR1
SCHEMBL24252062 0.69 SLC6A4 (0.44) KCNH2
SCHEMBL7870734 0.69 PDE2A (0.31) KCNH2TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369279-B1 STYRENE WITH ETHER OR FLUORINE GROUPS FOR POLYMERS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-04-09 US disclosed
US-6333436-B1 Styrene derivatives SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-12-25 US disclosed