SCHEMBL2597927

SCHEMBL2597927

NC(O)CCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.50
ANPEP P15144 2/20 0.40
ERAP2 Q6P179 1/20 0.40
LAP3 P28838 3/20 0.39
ALDH1A1 P00352 2/20 0.38
METAP1 P53582 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ENPEP Q07075 1/20 0.38

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
SCHEMBL2639189 0.97 FDPS (0.48) FDPSANPEPERAP2LAP3ALDH1A1
Water SCHEMBL4629852 0.95 FDPS (0.46) FDPSANPEPERAP2LAP3ALDH1A1
SCHEMBL8983328 0.85 FDPS (0.54) FDPSANPEPERAP2LAP3ALDH1A1
SCHEMBL2533837 0.85 FDPS (0.58) FDPSLAP3ALDH1A1TDP1
SCHEMBL10785210 0.83 FDPS (0.67) FDPSANPEPERAP2
SCHEMBL2840294 0.76 ANPEP (0.42) FDPSANPEPERAP2LAP3ALDH1A1
SCHEMBL3420165 0.76
Water SCHEMBL21253128 0.74 ANPEP (0.41) FDPSANPEPERAP2LAP3ALDH1A1
SCHEMBL5059579 0.72 FDPS (0.55) FDPSANPEPERAP2ALDH1A1
SCHEMBL10879019 0.72 ALDH1A1 (0.64) ANPEPALDH1A1TDP1ENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4832303-B2 2011-12-07 JP claimed
EP-1622567-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2009-04-29 EP claimed
JP-2006504749-A 2006-02-09 JP claimed
EP-1622567-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2006-02-08 EP claimed
EP-1553957-A1 BISPHOSPHONATES FOR THE TREATMENT OF ATHEROSCLEROSIS AND DEVICES COMPRISING THEM Novartis AG (CH) 2005-07-20 EP claimed
WO-2005035542-A1 SOLID-STATE FORM OF ALENDRONATE SODIUM AND PREPARATION THEREOF PLIVA-ISTRAZIVANJE I RAZVOJ D.O.O. (US) 2005-04-21 WO claimed
WO-2004100874-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2004-11-25 WO claimed
EP-1418897-A2 USE OF BISPHOSPHONATES IN THE TREATMENT OF BONE METASTASIS ASSOCIATED WITH PROSTATE CANCER Novartis AG (CH) 2004-05-19 EP claimed
WO-2004035060-A1 BISPHOSPHONATES FOR THE TREATMENT OF ANTHEROSCLEOROSIS AND DEVICES COMPRISING THEM NOVARTIS AG (CH) 2004-04-29 WO claimed
EP-1390373-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-1-HYDROXYBUTYLIDENE-1, 1-BIPHOSPHONIC ACID EOS Eczacibasi Ozgun Kimyasal Urunler Sanayi Ve Ti Caret A.S. (TR) 2004-02-25 EP claimed
EP-0779813-A1 PHOSPHONATES AND PARATHYROID HORMONE FOR OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY (US) 1997-06-25 EP claimed
EP-0758241-A1 USE OF CERTAIN METHANEBISPHOSPHONIC ACID DERIVATIVES TO PREVENT PROSTHESIS LOOSENING AND PROSTHESIS MIGRATION Novartis AG (CH) 1997-02-19 EP claimed
WO-1996007418-A1 PHOSPHONATES AND PARATHYROID HORMONE FOR OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY (US) 1996-03-14 WO claimed
EP-0690719-A4 1996-01-24 EP claimed
EP-0690719-A1 DRY MIX FORMULATION FOR BISPHOSPHONIC ACIDS MERCK & CO. INC. (US) 1996-01-10 EP claimed
WO-1995030421-A1 USE OF CERTAIN METHANEBISPHOSPHONIC ACID DERIVATIVES TO PREVENT PROSTHESIS LOOSENING AND PROSTHESIS MIGRATION CIBA-GEIGY AG (CH) 1995-11-16 WO claimed
EP-0617624-A1 TREATMENT OF PERIODONTAL DISEASE WITH ALENDRONATE. MERCK & CO INC (US) 1994-10-05 EP claimed
WO-1994012200-A1 DRY MIX FORMULATION FOR BISPHOSPHONIC ACIDS MERCK & CO., INC. (US) 1994-06-09 WO claimed
EP-0563096-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-10-06 EP claimed
WO-1993011774-A1 TREATMENT OF PERIODONTAL DISEASE WITH ALENDRONATE MERCK & CO., INC. (US) 1993-06-24 WO claimed