SCHEMBL9632832

SCHEMBL9632832

CC(N)(Cl)C(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.43
GRM4 Q14833 1/20 0.41
LAP3 P28838 4/20 0.40
LMNA P02545 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
THRB P10828 1/20 0.32
SMPD1 P17405 2/20 0.31
ANPEP P15144 3/20 0.31
ERAP1 Q9NZ08 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL27649061 0.71
SCHEMBL9057373 0.70 GRM4 (0.43) FDPSGRM4LAP3ANPEPERAP1
SCHEMBL5918832 0.67 LAP3 (0.50) FDPSGRM4LAP3LMNAANPEP
SCHEMBL9167777 0.67 LAP3 (0.38) FDPSGRM4LAP3LMNA
SCHEMBL20699856 0.67 LAP3 (0.43) FDPSGRM4LAP3LMNAPGK1
Tert-Butylamine SCHEMBL1310967 0.66 FDPS (0.62) FDPSGRM4LAP3LMNAPGK1
Tert-Butylamine SCHEMBL1310969 0.66 FDPS (0.62) FDPSGRM4LAP3LMNAPGK1
SCHEMBL3890060 0.65 LAP3 (0.41) FDPSGRM4LAP3LMNAPGK1
SCHEMBL9632822 0.65 FDPS (0.46) FDPSGRM4LAP3LMNAPGK1
SCHEMBL1053550 0.65 FDPS (0.46) FDPSGRM4LAP3LMNAANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273107-B1 ALPHA-AMINOMETHYLENE PHOSPHONATE BETAINES AND POLYMERS PREPARED THEREWITH National Starch and Chemical Investment Holding Corporation (US) 1992-12-09 EP disclosed
EP-0370338-B1 IMPROVED HAIR FIXATIVE COMPOSITIONS CONTAINING ALPHA-AMINOMETHYLENE PHOSPHONATE BETAINES National Starch and Chemical Investment Holding Corporation (US) 1992-05-20 EP disclosed
EP-0370338-A1 Improved hair fixative compositions containing alpha-aminomethylene phosphonate betaines National Starch and Chemical Investment Holding Corporation (US) 1990-05-30 EP disclosed
US-4778865-A ANTISOILANTS, CHELATE COMPOUNDS, ANTIDEPOSIT AGENTS, ENHANCED OIL RECOVERY NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-10-18 US disclosed
EP-0273107-A2 Alpha-aminomethylene phosphonate betaines and polymers prepared therewith National Starch and Chemical Investment Holding Corporation (US) 1988-07-06 EP disclosed
US-4707306-A MONOMERS FOR POLYMERS USED AS ANTIDEPOSIT AGENTS FOR SOILS NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1987-11-17 US disclosed