(Butylamino)Methylenediphosphonic Acid

(Butylamino)Methylenediphosphonic Acid

SCHEMBL7786904

CCCCNC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.48

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.48
FDPS P14324 6/20 0.48
S1PR2 O95136 5/20 0.45
S1PR4 O95977 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR5 Q9H228 1/20 0.45
LPAR3 Q9UBY5 3/20 0.44
LPAR2 Q9HBW0 1/20 0.44
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
MMP1 P03956 1/20 0.44
LAP3 P28838 2/20 0.43

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
(Pentylamino)Methylenediphosphonic Acid SCHEMBL6532378 0.93 S1PR2 (0.53) MMP2FDPSS1PR2S1PR4S1PR1
(Octylamino)Methylenediphosphonic Acid SCHEMBL11793636 0.91 S1PR2 (0.57) FDPSS1PR2S1PR4S1PR1S1PR3
(Hexylamino)Methylenediphosphonic Acid SCHEMBL11773128 0.91 S1PR2 (0.57) FDPSS1PR2S1PR4S1PR1S1PR3
SCHEMBL3977101 0.91 S1PR2 (0.57) FDPSS1PR2S1PR4S1PR1S1PR3
(Propylamino)Methylenediphosphonic Acid SCHEMBL8817761 0.85 MMP2 (0.50) MMP2FDPSS1PR2S1PR4S1PR1
SCHEMBL17187190 0.82 S1PR2 (0.40) MMP2FDPSS1PR2S1PR4S1PR1
SCHEMBL28852802 0.82 MMP2 (0.45) MMP2FDPSS1PR2S1PR4S1PR1
SCHEMBL28853995 0.80 MMP2 (0.44) MMP2FDPSS1PR2S1PR4S1PR1
SCHEMBL731378 0.79 MMP2 (0.39) MMP2ANPEPERAP2LAP3
SCHEMBL10613308 0.78 ANPEP (0.34) MMP2FDPSANPEP

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451807-B1 Self-extinguishing polymeric compositions MINI RICERCA SCIENT TECNOLOG (IT) 1996-07-24 EP claimed
EP-0466137-B1 Salts of triazine derivatives with oxygenated acids of phosphorus and their use in self-extinguishing polymeric compositions MINI RICERCA SCIENT TECNOLOG (IT) 1996-04-17 EP claimed
EP-0453871-B1 Salts of triazine derivatives with oxygenated acids of phosphorus MINI RICERCA SCIENT TECNOLOG (IT) 1996-02-07 EP claimed
US-5359064-A Used in preperation of self-extinguishing polymeric composition as flame-retardent additives Ministero Dell `Universita` e Della Ricerca Scientifica e Tecnologica (IT) 1994-10-25 US claimed
US-5344931-A Salts of triazinic compounds with phosphorus oxyacids, and use of said compounds in self-extinguishing polymeric compositions MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1994-09-06 US claimed
US-5225463-A Thermoplastic polymers or elastomers with triamino-s-triazine compounds and salified with oxygenated phosphorous MINISTERO DELL'UNIVERSITA E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-07-06 US claimed
EP-0537837-A1 Salts of triazinic compounds with phosphorus oxyacids, and use of said compounds in self-extinguishing polymeric compositions MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-04-21 EP claimed
US-5182388-A Anti-flame additives for thermoplastics MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-01-26 US claimed
EP-0466137-A2 Salts of triazine derivatives with oxygenated acids of phosphorus and their use in self-extinguishing polymeric compositions MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1992-01-15 EP claimed
EP-0453871-A1 Salts of triazine derivatives with oxygenated acids of phosphorus MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-10-30 EP claimed
EP-0451807-A2 Self-extinguishing polymeric compositions MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-10-16 EP claimed
EP-1141448-A2 IMPROVED SEALING METHOD FOR ANODIZED METAL SURFACES Henkel Kommanditgesellschaft auf Aktien (DE) 2001-10-10 EP disclosed
EP-0902849-B1 SHORT-TERM HEAT-SEALING OF ANODIZED METAL SURFACES WITH SURFACTANT-CONTAINING SOLUTIONS HENKEL KGAA (DE) 2000-08-09 EP disclosed
WO-2000036190-A2 IMPROVED SEALING METHOD FOR ANODIZED METAL SURFACES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-06-22 WO disclosed
US-6059897-A AFTERTREATMENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-05-09 US disclosed
US-4022606-A Antimicrobial use of ω-aminocarboxylic acid amides HENKEL & CIE G.M.B.H. (DT) 1977-05-10 US disclosed
US-3979385-A HEAVY METAL COMPLEXING AGENTS HENKEL & CIE G.M.B.H. (DT) 1976-09-07 US disclosed
US-3965265-A REACTION PRODUCT OF CAPROLACTAM AND N-ALKYL ALKYLENEDIAMINE HENKEL & CIE G.M.B.H. (DT) 1976-06-22 US disclosed
US-3957160-A Process for the prevention of precipitations in water or aqueous solutions HENKEL & CIE G.M.B.H. (DT) 1976-05-18 US disclosed
US-3945996-A ANTIMICROBIAL ACTIVITY FOR INDUSTRIAL WATER SYSTEMS HENKEL & CIE GMBH (DT) 1976-03-23 US disclosed