Sugi Predict

Sugi Predict / Compounds / SCHEMBL2425804

SCHEMBL2425804

SCHEMBL2425804

CCCCC(CC)CC(C(=O)[O-])C(CC(CC)CCCC)(C(=O)[O-])S(=O)(=O)O.CCCCC(CC)CC(C(=O)[O-])C(CC(CC)CCCC)(C(=O)[O-])S(=O)(=O)O.CCCCC(CC)CC(C(=O)[O-])C(CC(CC)CCCC)(C(=O)[O-])S(=O)(=O)O.[Al+3].[Al+3]

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.40
▸ RECQL P46063 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA1 P00915 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
Silver SCHEMBL2027796 0.97 CA2 (0.40) CA2RECQLALDH1A1TSHRCYP3A4
SCHEMBL2027800 0.97 CA2 (0.40) CA2RECQLALDH1A1TSHRCYP3A4
Potassium Ion SCHEMBL817854 0.97 CA2 (0.40) CA2RECQLALDH1A1TSHRCYP3A4
SCHEMBL9949603 0.97 CA2 (0.40) CA2RECQLALDH1A1TSHRCYP3A4
SCHEMBL51225 0.97 CA2 (0.42) CA2RECQLALDH1A1TSHRCYP3A4
SCHEMBL11119598 0.97 CA2 (0.40) CA2RECQLALDH1A1TSHRCYP3A4
Tetramethylammonium Ion SCHEMBL5525956 0.95 CA2 (0.38) CA2RECQLALDH1A1TSHRCYP3A4
SCHEMBL8903392 0.90 CYP3A4 (0.34) CA2TSHRCYP3A4
SCHEMBL1905631 0.88 RECQL (0.39) CA2RECQL
SCHEMBL1527710 0.87 CA2 (0.42) CA2RECQLALDH1A1TSHRCYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350213-B1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM HEWLETT PACKARD DEVELOPMENT CO (US) 2016-06-29 — — EP claimed
US-8440381-B2 Liquid electrophotographic ink with a charge director system HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2013-05-14 — — US claimed
US-20110217650-A1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM HEWLETT-PARKARD DEVELOPMENT COMPANY, L.P. (US) 2011-09-08 — — US claimed
EP-1896905-B1 LIQUID DEVELOPER AND A METHOD OF CHARGING TONER PARTICLES IN LQIUID DEVELOPERS HEWLETT PACKARD DEVELOPMENT CO (US) 2009-11-25 — — EP claimed
US-8440381-B2 Liquid electrophotographic ink with a charge director system HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2013-05-14 — — US disclosed
US-20110217650-A1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM HEWLETT-PARKARD DEVELOPMENT COMPANY, L.P. (US) 2011-09-08 — — US disclosed
US-4879197-A ANTIFOGGING AGENTS MITSUBISHI PAPER MILLS, LTD. (JP) 1989-11-07 — — US disclosed