SCHEMBL25399798

SCHEMBL25399798

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CA2 P00918 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.37
NCF1 P14598 1/20 0.37
KCNA5 P22460 1/20 0.37
LMNA P02545 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL11864901 1.00 USP2 (0.40) USP2ALDH1A1GAAADRB2ADRB1
SCHEMBL27257211 0.92 ALDH1A1 (0.40) USP2ALDH1A1GAAADRB2ADRB1
SCHEMBL9015899 0.92 ALDH1A1 (0.40) USP2ALDH1A1GAAADRB2ADRB1
SCHEMBL11652580 0.91 TSHR (0.46) USP2GAAMEN1KMT2ATSHR
SCHEMBL12525219 0.90 ALOX15 (0.41) USP2ALDH1A1GAAADRB2ADRB1
SCHEMBL3954915 0.88 MEN1 (0.46) ALDH1A1GAACA2MEN1KMT2A
SCHEMBL2671430 0.83 USP2 (0.42) USP2ALDH1A1GAAADRB2ADRB1
SCHEMBL6864717 0.83 HRH3 (0.44) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL18590695 0.81 CHRM5 (0.38) ALDH1A1CA2KCNA5
SCHEMBL18590694 0.81 CHRM5 (0.38) ALDH1A1CA2KCNA5

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
WO-2023183152-A1 VIOLET EXCITABLE TANDEM DYES, AND METHODS FOR MAKING AND USING THE SAME BECTON, DICKINSON AND COMPANY (US) 2023-09-28 WO disclosed
US-20230295440-A1 VIOLET EXCITABLE TANDEM DYES, AND METHODS FOR MAKING AND USING THE SAME BECTON, DICKINSON AND COMPANY 2023-09-21 US disclosed