SCHEMBL8940029

SCHEMBL8940029

OCCNCCN(CCNCCO)CCNCCO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL451439 0.94 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL10885284 0.92 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL11028285 0.92 KDM4E (0.33) CA12CA1CA2CA9
SCHEMBL16075892 0.92 KDM4E (0.33) CA12CA1CA2CA9
Trolamine SCHEMBL1668128 0.88 MAPT (0.33) CYP2C9
SCHEMBL6242410 0.88 CA12 (0.35) CA12CA1CA2CA9CYP2C9
SCHEMBL11461147 0.87 PAOX (0.32) CA12CA2CA9CYP2C9CYP2C19
SCHEMBL16078975 0.85 CYP2C9 (0.38) CA12CA1CA2CA9CYP2C9
SCHEMBL16078974 0.85 CYP2C9 (0.38) CA12CA1CA2CA9CYP2C9
Trolamine SCHEMBL11568005 0.85 MAPT (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4230588-A REACT WITH FATTY ACIDS AND ARYL SULFONIC ACIDS PHILLIPS PETROLEUM COMPANY (US) 1980-10-28 US claimed
US-20240041025-A1 AN ADHESIVE NANOGEL COMPOSITION AND METHOD OF PREPARATION THEREOF GIRI JYOTSNENDU (IN) 2024-02-08 US disclosed
WO-2022137175-A1 AN ADHESIVE NANOGEL COMPOSITION AND METHOD OF PREPARATION THEREOF GIRI JYOTSNENDU (IN) 2022-06-30 WO disclosed
WO-2018177863-A1 DERIVATIVES OF THE DISODIUM 2,2'-{CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL) CARBONYLIMINO]}DINAPHTHALENE-1,5-DISULFONATE SALT AND RELATED COMPOUNDS AS HEPARANASE INHIBITORS FOR THE TREATMENT OF CANCER LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed
EP-3381897-A1 DERIVATIVES OF THE DISODIUM 2,2'-{CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL)CARBONYLIMINO]}DINAPHTHALENE-1,5-DISULFONATE SALT AND RELATED COMPOUNDS AS HEPARANASE INHIBITORS FOR THE TREATMENT OF CANCER Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed
EP-0711180-A4 FUNCTIONALIZED TRIPODAL LIGANDS FOR IMAGING APPLICATIONS MALLINCKRODT MEDICAL INC (US) 1996-11-27 EP disclosed
EP-0711180-A1 FUNCTIONALIZED TRIPODAL LIGANDS FOR IMAGING APPLICATIONS MALLINCKRODT MEDICAL, INC. (US) 1996-05-15 EP disclosed
US-5405601-A Functionalized tripodal ligands for imaging applications MALLINCKRODT MEDICAL INC. (US) 1995-04-11 US disclosed
WO-1995001124-A1 FUNCTIONALIZED TRIPODAL LIGANDS FOR IMAGING APPLICATIONS MALLINCKRODT MEDICAL, INC. (US) 1995-01-12 WO disclosed