SCHEMBL9450418

SCHEMBL9450418

O=C(Cl)C1CCC(F)(F)CC1C(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
SLC6A12 P48065 1/20 0.31
SLC6A11 P48066 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
SCHEMBL16635714 0.90 SLC6A12 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5SLC6A12
SCHEMBL18279798 0.84 CHRM2 (0.35) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL17008630 0.84 CHRM2 (0.35) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL16636351 0.81 HRH3 (0.32) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL16636353 0.81 HRH3 (0.32) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL10704175 0.76 SLC6A12 (0.45) KCNQ3KCNQ2KCNQ4KCNQ5SLC6A12
SCHEMBL4303990 0.76 GRM2 (0.32)
SCHEMBL16635971 0.75 EPHX2 (0.34)
SCHEMBL7271372 0.72 GABRR1 (0.35)
SCHEMBL17237823 0.72 GABRR1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5233054-A Dehydrogenating, brominating the halogen substituted hexa- or tetra-hydrophthalic anhydride in the presence of free radical catalysts OCCIDENTAL CHEMICAL CORPORATION (US) 1993-08-03 US disclosed
US-5206391-A Reacting BR2 with halohydrophthalic anhydride, reacting HBR with CL2 to regenerate bromine OCCIDENTAL CHEMICAL CORPORATION (US) 1993-04-27 US disclosed
US-5049682-A Halogenation OCCIDENTAL CHEMICAL CORPORATION (US) 1991-09-17 US disclosed
EP-0417691-A2 Process for the preparation of halophthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-20 EP disclosed