SCHEMBL11204662

SCHEMBL11204662

O=P(O)(O)C(N(CCBr)C(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.43
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MMP2 P08253 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2819765 0.86 FDPS (0.40) FDPS
SCHEMBL38156 0.84 FDPS (0.50) FDPSMEN1LMNAHPGDTSHR
SCHEMBL12231067 0.82 FDPS (0.44) FDPSKDM4EMMP2THRBMAPK1
Ammonia Solution, Strong SCHEMBL3279112 0.81 FDPS (0.48) FDPSKDM4EMMP2THRBMAPK1
Water SCHEMBL7073557 0.81 FDPS (0.48) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL449507 0.79 FDPS (0.46) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL5162009 0.79 FDPS (0.46) FDPSLMNABLMKDM4EMMP2
SCHEMBL168236 0.77 FDPS (0.44) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL132769 0.77 FDPS (0.44) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL10771002 0.77 FDPS (0.44) FDPSKDM4EMMP2THRBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4276414-A AMINOMETHYLENEPHOSPHONIC ACIDS NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1981-06-30 US claimed
EP-0025830-B1 NOVEL STARCH ETHER DERIVATIVES, A METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN PAPER National Starch and Chemical Corporation (US) 1983-05-25 EP disclosed
US-4297299-A PIGMENT RETENTION AGENTS FOR PAPERMAKING NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1981-10-27 US disclosed
US-4276414-A AMINOMETHYLENEPHOSPHONIC ACIDS NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1981-06-30 US disclosed
US-4260738-A FOR USE IN PAPERMAKING NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1981-04-07 US disclosed
EP-0025830-A1 Novel starch ether derivatives, a method for the preparation thereof and their use in paper National Starch and Chemical Corporation (US) 1981-04-01 EP disclosed
US-4243479-A AMINOALKYLPHOSPHONIC ACID NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1981-01-06 US disclosed