SCHEMBL7775089

SCHEMBL7775089

CCCN(CC)C(C)CO

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.38
TSHR P16473 2/20 0.35
KCNA5 P22460 2/20 0.32
CYP2D6 P10635 1/20 0.32
KCNE1 P15382 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL15133972 1.00 FDPS (0.38) FDPSTSHRKCNA5CYP2D6KCNE1
SCHEMBL7770585 0.90 FDPS (0.41) FDPSTSHRKCNA5TDP1
SCHEMBL7778192 0.86 CA12 (0.33) TSHR
SCHEMBL29003701 0.85 MAPT (0.33) FDPSTSHRTDP1
SCHEMBL10673601 0.84
SCHEMBL8707 0.84
SCHEMBL15317975 0.84
Hydrochloric Acid SCHEMBL10674883 0.81 TSHR (0.37) FDPSTSHRTDP1
Hydrochloric Acid SCHEMBL10594297 0.81 TSHR (0.37) FDPSTSHRTDP1
SCHEMBL28243404 0.81 TSHR (0.37) FDPSTSHRTDP1

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
CN-119462525-A Pyrithiobac-sodium ionic liquid and preparation method and application thereof 中国药科大学 2025-02-18 CN disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed