SCHEMBL29948795

SCHEMBL29948795

CCCCCCCCCc1ccccc1-c1cccc(P(=O)([O-])[O-])c1CCCCCCCCC.CCCCCCCCCc1ccccc1-c1cccc(P(=O)([O-])[O-])c1CCCCCCCCC.CCCCCCCCCc1ccccc1-c1cccc(P(=O)([O-])[O-])c1CCCCCCCCC.[Nd+3].[Nd+3]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
LIPG Q9Y5X9 1/20 0.40
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
CYSLTR2 Q9NS75 6/20 0.36
CYSLTR1 Q9Y271 6/20 0.36
PTPN1 P18031 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36

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
SCHEMBL29948646 0.83 LIPG (0.49) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL23534070 0.77 LIPG (0.49) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL29948792 0.77 LIPG (0.49) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL1921650 0.76 LIPG (0.62) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL196217 0.76 LIPG (0.62) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL1414266 0.76 LIPG (0.62) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL11663988 0.76 LIPG (0.62) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL8157124 0.76 LIPG (0.62) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL9619382 0.76 LIPG (0.62) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL29948685 0.75 L3MBTL1 (0.34) BIDMCL1BCL2L1BAK1KAT8

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
EP-3883974-B1 POLYMER COMPOSITION AND A METHOD FOR PREPARING THEREOF SIBUR HOLDING PUBLIC JOINT STOCK CO (RU) 2025-09-03 EP disclosed
EP-4098667-B1 METHOD FOR PRODUCING MODIFIED POLYDIENES PUBLIC JOINT STOCK COMPANY SIBUR HOLDING PJSC SIBUR HOLDING (RU) 2025-03-12 EP disclosed
EP-4098667-A1 METHOD FOR PRODUCING MODIFIED POLYDIENES Public Joint Stock Company "Sibur Holding" (PJSC "Sibur Holding") (RU) 2022-12-07 EP disclosed
EP-4098666-A1 METHOD FOR PRODUCING MODIFIED POLYDIENES (VARIANTS) Public Joint Stock Company "Sibur Holding" (PJSC "Sibur Holding") (RU) 2022-12-07 EP disclosed
EP-4077410-A1 BRANCHED POLYDIENES, RUBBER COMPOSITIONS BASED ON THEREOF Public Joint Stock Company "Sibur Holding" (PJSC "Sibur Holding") (RU) 2022-10-26 EP disclosed