SCHEMBL25834625

SCHEMBL25834625

COC(C)(C)CCOC(C)(C)CCCO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32

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
SCHEMBL369442 0.87 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL7808732 0.87
SCHEMBL6843199 0.84 CYP4F2 (0.41) ALDH1A1TSHRTDP1CYP4F2CYP4A11
SCHEMBL29043397 0.82 CYP4F2 (0.44) ALDH1A1TSHRTDP1CYP4F2CYP4A11
SCHEMBL21976850 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13283912 0.80 CYP4F2 (0.38) ALDH1A1TSHRTDP1CYP4F2CYP4A11
SCHEMBL22039632 0.80 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL8165469 0.79 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL13096770 0.79 CYP4F2 (0.42) ALDH1A1TSHRTDP1CYP4F2CYP4A11
SCHEMBL18746975 0.79 GRM4 (0.34) CYP4F2CYP4A11

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-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-20230228745-A1 WATER-SOLUBLE II-CONJUGATED FLUORESCENT 1,1 -BINAPHTHYL-BASED POLYMERS WITH TUNEABLE ABSORPTION Miltenyi Biotec B.V. & Co. KG (DE) 2023-07-20 US disclosed