SCHEMBL9229673

SCHEMBL9229673

C=CCC(C(=O)O)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.48
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
CYP2C19 P33261 1/20 0.38
CPA1 P15085 1/20 0.38
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.32

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
SCHEMBL20201445 0.84 GRIK1 (0.38) FOLH1GRIK1GRIK2CYP2C19CPA1
SCHEMBL4122899 0.75 GRIK1 (0.35) FOLH1GRIK1GRIK2CYP2C19CPA1
SCHEMBL4117495 0.72 POLB (0.38) GRIK1GRIK2CYP2C19CPA1LMNA
SCHEMBL8842216 0.72 GRIK1 (0.36) FOLH1GRIK1GRIK2CYP2C19CPA1
SCHEMBL8532031 0.72 FOLH1 (0.58) FOLH1MEN1LMNAHPGDTSHR
SCHEMBL2358292 0.70 FDPS (0.40) GRIK1GRIK2CYP2C19
SCHEMBL1685382 0.70 LAP3 (0.35) GRIK1GRIK2CYP2C19CPA1
SCHEMBL7049234 0.70 FOLH1 (0.56) FOLH1MEN1LMNAHPGDTSHR
SCHEMBL31636 0.69 GRIK1 (0.48) GRIK1GRIK2CYP2C19CPA1MEN1
SCHEMBL4410388 0.69

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
EP-0688325-A1 PHOSPHONIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1995-12-27 EP disclosed
WO-1994020508-A1 PHOSPHONIC ACID DERIVATIVES EISAI CO., LTD. (JP) 1994-09-15 WO disclosed
US-4351796-A Method for scale control CIBA-GEIGY CORPORATION (US) 1982-09-28 US disclosed
US-4251492-A REMOVAL OF HYDROGEN SULFIDE FROM GASES OR LIQUID HYDROCARBONS USING A PHOSPHONIC ACID COMPOUND SEQUESTERING AGENT CIBA-GEIGY CORPORATION (US) 1981-02-17 US disclosed
US-4123512-A ANTIPLAQUE, ANTISTAIN, AMIDINE AND POLYPHOSPHONIC COMPOUND COLGATE-PALMOLIVE COMPANY (US) 1978-10-31 US disclosed
US-4102993-A CHLORHEXIDINE OR ALEXIDINE AND ANTISTAIN AGENT COLGATE-PALMOLIVE COMPANY (US) 1978-07-25 US disclosed
US-4100270-A POLYPHOSPHONIC COMPOUND COLGATE-PALMOLIVE COMPANY (US) 1978-07-11 US disclosed
US-4098880-A CHLORHEXIDINE, ALEXIDINE, BENZETHONIUM CHLORIDE, AND CETYL PYRIDINIUM CHLORIDE COLGATE-PALMOLIVE COMPANY (US) 1978-07-04 US disclosed
US-4042679-A BIS-BIGUANIDOHEXANES, QUATERNARY AMMONIUM SALTS, POLYMERIC POLYPHOSPHONIC COMPOUND COLGATE-PALMOLIVE COMPANY (US) 1977-08-16 US disclosed