SCHEMBL8387752

SCHEMBL8387752

O=P(O)(O)CC(O)C(O)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.32
FDPS P14324 1/20 0.32
PTPN1 P18031 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
SCHEMBL9360437 0.81 S1PR2 (0.35) GGPS1FDPSPTPN1
SCHEMBL8390713 0.79 KLK5 (0.36)
SCHEMBL9540529 0.78 S1PR2 (0.34) GGPS1FDPS
SCHEMBL9542022 0.78 S1PR2 (0.34) GGPS1FDPS
Phosphonic Acid SCHEMBL8387756 0.75 APLNR (0.31)
SCHEMBL9540514 0.75 S1PR2 (0.33)
SCHEMBL21293520 0.74 PGK1 (0.37) GGPS1FDPSPTPN1
SCHEMBL9543140 0.74 S1PR2 (0.32)
Diethyl Hydrogen Phosphate SCHEMBL27400284 0.74 POLB (0.36)
SCHEMBL9356540 0.72 S1PR2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922644-A POSTEMERGENCE HERBICIDES EFFECTIVE AGAINST A BROAD RANGE OF WEED SPECIES; MAY BE USED AS SELECTIVE HERBICIDES IN SOYA, SUGAR BEET, AND OIL-SEED RAPE CROPS ZENECA LIMITED (GB) 1999-07-13 US disclosed
EP-0625873-B1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LTD (GB) 1997-11-05 EP disclosed
US-5393732-A Triazole phosphoric acid derivatives and their use as herbicides ZENECA LIMITED (GB) 1995-02-28 US disclosed
EP-0625873-A1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LIMITED (GB) 1994-11-30 EP disclosed
WO-1993015610-A1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LIMITED (GB) 1993-08-19 WO disclosed