SCHEMBL25456901

SCHEMBL25456901

CCCOCCOCC(CC)COCCOCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
USP2 O75604 1/20 0.31
HTT P42858 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
SCHEMBL1298795 0.83 HSD17B10 (0.52) HSD17B10CYP3A4TDP1ALDH1A1MMP9
SCHEMBL7771151 0.81 CYP3A4 (0.65) HSD17B10CYP3A4TDP1ALDH1A1TSHR
SCHEMBL272689 0.80 ALDH1A1 (0.47) HSD17B10CYP3A4TDP1ALDH1A1TSHR
SCHEMBL11969928 0.80 ALDH1A1 (0.47) HSD17B10CYP3A4TDP1ALDH1A1TSHR
SCHEMBL16329751 0.80 ALDH1A1 (0.47) HSD17B10CYP3A4TDP1ALDH1A1TSHR
SCHEMBL11970063 0.80 ALDH1A1 (0.47) HSD17B10CYP3A4TDP1ALDH1A1TSHR
SCHEMBL12680272 0.80 ALDH1A1 (0.47) HSD17B10CYP3A4TDP1ALDH1A1TSHR
SCHEMBL11970056 0.80 ALDH1A1 (0.47) HSD17B10CYP3A4TDP1ALDH1A1TSHR
SCHEMBL273877 0.80 ALDH1A1 (0.47) HSD17B10CYP3A4TDP1ALDH1A1TSHR
SCHEMBL394975 0.80

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-20230295441-A1 Water-Soluble Polymeric Dyes Having Pendant Chromophores BECTON, DICKINSON AND COMPANY 2023-09-21 US disclosed
US-11702547-B2 Water-soluble polymeric dyes having pendant chromophores BECTON, DICKINSON AND COMPANY (US) 2023-07-18 US disclosed
US-20230152327-A1 WATER-SOLUBLE YELLOW GREEN ABSORBING DYES BECTON, DICKINSON AND COMPANY 2023-05-18 US disclosed