SCHEMBL19811916

SCHEMBL19811916

C=CCNCC=C.CCCCCCCCCC(I)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH4 P08319 2/20 0.37
ADH7 P40394 2/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
EPHX1 P07099 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TRPA1 O75762 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
SCHEMBL3408277 0.83 TP53 (0.50) TP53ZDHHC20ZDHHC2CA1CA2
SCHEMBL18008525 0.76 EPHX2 (0.50) FAAHADH1BADH1CADH1AADH4
SCHEMBL18008616 0.76 EPHX2 (0.50) FAAHADH1BADH1CADH1AADH4
SCHEMBL18008443 0.76 EPHX2 (0.50) FAAHADH1BADH1CADH1AADH4
SCHEMBL18008560 0.76 EPHX2 (0.50) FAAHADH1BADH1CADH1AADH4
SCHEMBL6885022 0.76 EPHX2 (0.50) FAAHADH1BADH1CADH1AADH4
SCHEMBL18008413 0.76 EPHX2 (0.50) FAAHADH1BADH1CADH1AADH4
SCHEMBL18009067 0.76 EPHX2 (0.50) FAAHADH1BADH1CADH1AADH4
SCHEMBL18008793 0.74 FAAH (0.37) FAAHALDH1A1TP53ADH1BADH1C
SCHEMBL18007982 0.74 FAAH (0.37) FAAHALDH1A1TP53ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200326299-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2020-10-15 US disclosed
US-10732144-B2 Electrochemical gas sensor and electrolyte for an electrochemical gas sensor Dräger Safety AG & Co. KGaA (DE) 2020-08-04 US disclosed
US-20180031516-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2018-02-01 US disclosed