SCHEMBL25840614

SCHEMBL25840614

CC(C)(C)OC(=O)NCCCCOc1cc(Br)ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.54
CA1 P00915 7/20 0.54
CA2 P00918 7/20 0.54
CA9 Q16790 7/20 0.54
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
FPR3 P25089 3/20 0.44
FPR2 P25090 3/20 0.44
AAK1 Q2M2I8 4/20 0.44
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL20471981 0.86 CA12 (0.50) CA12CA1CA2CA9RAB9A
SCHEMBL16593036 0.84 CA12 (0.51) CA12CA1CA2CA9TDP1
SCHEMBL30951481 0.84 CA1 (0.53) CA12CA1CA2CA9RAB9A
SCHEMBL20472087 0.83 CA12 (0.47) CA12CA1CA2CA9RAB9A
SCHEMBL26001198 0.83 CA12 (0.50) CA12CA1CA2CA9RAB9A
SCHEMBL15805956 0.83 CA1 (0.54) CA12CA1CA2CA9TDP1
SCHEMBL20471820 0.82 CA12 (0.48) CA12CA1CA2CA9RAB9A
SCHEMBL17959004 0.82 CA12 (0.49) CA12CA1CA2CA9RAB9A
SCHEMBL2147505 0.82 CA12 (0.69) CA12CA1CA2CA9TDP1
SCHEMBL16593002 0.81 AAK1 (0.61) CA12CA1CA2CA9RAB9A

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-20230287170-A1 FLUORESCENT DYES COMPRISING M-CONJUGATED 1,1 -BINAPHTHYL-BASED POLYMERS Miltenyi Biotec B.V. & Co. KG (DE) 2023-09-14 US disclosed
US-20230287170-A1 FLUORESCENT DYES COMPRISING M-CONJUGATED 1,1 -BINAPHTHYL-BASED POLYMERS Miltenyi Biotec B.V. & Co. KG (DE) 2023-09-14 US disclosed
US-20230228746-A1 Water-soluble M-conjugated fluorescent 1,1-binaphthyl-based tandem polymers Miltenyi Biotec B.V. & Co. KG (DE) 2023-07-20 US disclosed
EP-4212594-A1 WATER-SOLUBLE -CONJUGATED FLUORESCENT 1,1' -BINAPHTHYL-BASED TANDEM POLYMERS Miltenyi Biotec B.V. & Co. KG (DE) 2023-07-19 EP disclosed