SCHEMBL28026112

SCHEMBL28026112

O=P(O)(O)OCC(CBr)C(Br)Br

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
PGD P52209 3/20 0.39
MPI P34949 1/20 0.39
LPAR1 Q92633 5/20 0.33
LPAR5 Q9H1C0 1/20 0.33
LPAR3 Q9UBY5 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
SCHEMBL2239094 0.77 PGK1 (0.45) PGK1PGK2PGDMPILPAR1
SCHEMBL11585605 0.76 PGK1 (0.43) PGK1PGK2PGDMPILPAR1
Ammonia Solution, Strong SCHEMBL11596350 0.76 PGK1 (0.43) PGK1PGK2PGDMPILPAR1
Ammonia Solution, Strong SCHEMBL11700135 0.76 PGK1 (0.43) PGK1PGK2PGDMPILPAR1
SCHEMBL11601014 0.76 PGK1 (0.43) PGK1PGK2PGDMPILPAR1
SCHEMBL2414731 0.75 PGK1 (0.46) PGK1PGK2PGDMPILPAR1
SCHEMBL11549073 0.74
SCHEMBL21986459 0.71 PGK1 (0.43) PGK1PGK2PGDMPILPAR1
SCHEMBL27277544 0.71 PGK1 (0.43) PGK1PGK2PGDMPILPAR1
SCHEMBL11348555 0.71 PGD (0.46) PGK1PGK2PGDMPILPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104923713-A Long-storage-life triethylamine method cold core box curing agent and production method thereof GANSU KOCEL CHEMICALS CO LTD 2015-09-23 CN claimed
CN-106457013-A Fire extinguishing composition 消防栓国际贸易有限公司 2017-02-22 CN disclosed
CN-104923713-A Long-storage-life triethylamine method cold core box curing agent and production method thereof GANSU KOCEL CHEMICALS CO LTD 2015-09-23 CN disclosed