SCHEMBL2489631

SCHEMBL2489631

NC(N)=C(N)N.NC(N)=C(N)N.NC(N)=C(N)N.NCCNCCN

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.71
CA6 P23280 5/20 0.71
CA7 P43166 5/20 0.71
CA9 Q16790 5/20 0.71
CA14 Q9ULX7 5/20 0.71
CA5B Q9Y2D0 5/20 0.71
MEN1 O00255 2/20 0.71
RECQL P46063 2/20 0.71
KMT2A Q03164 2/20 0.71
CA2 P00918 4/20 0.67
CA4 P22748 4/20 0.67
CA5A P35218 4/20 0.67
LMNA P02545 3/20 0.67
CA3 P07451 3/20 0.67
ALOX15 P16050 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
CA1 P00915 2/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.67
KDM4E B2RXH2 1/20 0.62

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
Trientine SCHEMBL8569968 0.97 CA12 (0.73) CA12CA6CA7CA9CA14
Trientine SCHEMBL17626620 0.97 CA12 (0.73) CA12CA6CA7CA9CA14
SCHEMBL15381 0.84
SCHEMBL5314937 0.84 CA12 (1.00) CA12CA6CA7CA9CA14
Urea SCHEMBL1662263 0.83 CA12 (0.67) CA12CA6CA7CA9CA14
Thiourea SCHEMBL3345993 0.83 CA12 (0.67) CA12CA6CA7CA9CA14
Guanidine SCHEMBL28483885 0.83 CA12 (0.67) CA12CA6CA7CA9CA14
SCHEMBL25342018 0.81 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL15797 0.81 CA12 (1.00) CA12CA6CA7CA9CA14
Trientine SCHEMBL15439 0.81 CA12 (1.00) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379575-B1 HYDROPHOSPHORYLATION OF PHOSPHONIC ACID DERIVATIVES TO YIELD FLAME RETARDANTS CLARIANT INT LTD (CH) 2017-04-12 EP disclosed
EP-2178891-B1 PHOSPHONOUS ACIDS, SALTS AND ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF SAME CLARIANT FINANCE BVI LTD (VG) 2013-12-11 EP disclosed
EP-2081942-B1 ETHYLENE DIPHOSPHINIC ACIDS CLARIANT FINANCE BVI LTD (VG) 2011-12-14 EP disclosed
EP-2379575-A1 HYDROPHOSPHORYLATION OF PHOSPHONOUS ACID DERIVATIVES FOR FLAME RETARDANTS Clariant International Ltd. (CH) 2011-10-26 EP disclosed
WO-2010069421-A1 HYDROPHOSPHORYLATION OF PHOSPHONOUS ACID DERIVATIVES FOR FLAME RETARDANTS CLARIANT INTERNATIONAL LTD (CH) 2010-06-24 WO disclosed
EP-2178891-A2 PHOSPHONOUS ACIDS, SALTS AND ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF SAME Clariant Finance (BVI) Limited (VG) 2010-04-28 EP disclosed
EP-2081942-A1 ETHYLENE DIPHOSPHINIC ACIDS Clariant Finance (BVI) Limited (VG) 2009-07-29 EP disclosed
WO-2009010188-A2 ALKYLPHOSPHONOUS ACIDS, SALTS AND ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF SAME CLARIANT INTERNATIONAL LTD (CH) 2009-01-22 WO disclosed
EP-1935895-A1 Salts made from asymmetric substituted Bis-(1-Hydroxymethyl-)phosphine acids CLARIANT INTERNATIONAL LTD. (CH) 2008-06-25 EP disclosed
WO-2008043499-A1 ETHYLENE DIPHOSPHINIC ACIDS CLARIANT FINANCE (BVI) LIMITED (VG) 2008-04-17 WO disclosed
EP-1905776-A1 Asymmetrical substituted phosphine acids CLARIANT INTERNATIONAL LTD. (CH) 2008-04-02 EP disclosed
US-5916548-A COPOLYMERS FOR CARE OF HAIR THE PROCTER & GAMBLE COMPANY (US) 1999-06-29 US disclosed
US-5863527-A COPOLYMER COMPLEX, FATTY AMINE, HYDROPHOBIC SOLVENT THE PROCTOR & GAMBLE COMPANY (US) 1999-01-26 US disclosed
EP-0085191-A1 Continuous process for producing alcohols UNION CARBIDE CORPORATION (US) 1983-08-10 EP disclosed