SCHEMBL15977290

SCHEMBL15977290

N#CCCCCOP(=O)(OCCCCC#N)OCCCCC#N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.35
KCNA3 P22001 2/20 0.32
KCNA5 P22460 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
MAPT P10636 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
SCHEMBL15977289 0.93 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRKCNA3KCNA5
SCHEMBL10422583 0.83 TSHR (0.52) CYP3A4ALDH1A1TSHRTDP1
SCHEMBL733409 0.82 ALDH1A1 (0.43) CYP3A4ALDH1A1TSHRTDP1
SCHEMBL28006872 0.82 LPAR3 (0.52) LPAR3LPAR1LPAR2
SCHEMBL31661912 0.76 CYP1A2 (0.33) CYP3A4MAPT
SCHEMBL13105856 0.74 CYP3A4 (0.61) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL7006853 0.73 TSHR (0.56) CYP3A4ALDH1A1TSHRTDP1
SCHEMBL15977306 0.73 TSHR (0.56) CYP3A4ALDH1A1TSHRTDP1
SCHEMBL15977286 0.73 ALDH1A1 (0.36) CYP3A4ALDH1A1
SCHEMBL17943797 0.73 CYP3A4 (0.48) CYP3A4ALDH1A1TSHR

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-9847549-B2 Electrolyte and rechargeable lithium battery including same SAMSUNG SDI CO., LTD. (KR) 2017-12-19 US disclosed
US-9847549-B2 Electrolyte and rechargeable lithium battery including same SAMSUNG SDI CO., LTD. (KR) 2017-12-19 US disclosed
US-20170237122-A1 ELECTROLYTE FOR LITHIUM BATTERY AND LITHIUM BATTERY INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2017-08-17 US disclosed
US-20140242453-A1 ELECTROLYTE AND RECHARGEABLE LITHIUM BATTERY INCLUDING SAME SAMSUNG SDI CO., LTD. (KR) 2014-08-28 US disclosed
US-20140242453-A1 ELECTROLYTE AND RECHARGEABLE LITHIUM BATTERY INCLUDING SAME SAMSUNG SDI CO., LTD. (KR) 2014-08-28 US disclosed