SCHEMBL20139445

SCHEMBL20139445

CCCCCCCCCc1ccccc1OP(=O)(O)Oc1ccccc1CCCCCCCCC.[Nd]

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
PPARA Q07869 2/20 0.49
LIPG Q9Y5X9 1/20 0.49
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
PPARG P37231 1/20 0.47
CETP P11597 3/20 0.43
ENPP2 Q13822 1/20 0.43
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42

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
SCHEMBL8814499 0.98 THRA (0.56) THRATHRBPPARALIPGALOX5
SCHEMBL679570 0.98 THRA (0.56) THRATHRBPPARALIPGALOX5
SCHEMBL29799602 0.98 THRA (0.56) THRATHRBPPARALIPGALOX5
SCHEMBL29721429 0.98 THRA (0.56) THRATHRBPPARALIPGALOX5
SCHEMBL29389849 0.98 THRA (0.56) THRATHRBPPARALIPGALOX5
SCHEMBL1396938 0.97 THRA (0.55) THRATHRBPPARALIPGALOX5
Ammonia Solution, Strong SCHEMBL11365432 0.97 THRA (0.55) THRATHRBPPARALIPGALOX5
SCHEMBL1396899 0.97 THRA (0.55) THRATHRBPPARALIPGALOX5
SCHEMBL8058973 0.93 THRA (0.53) THRATHRBPPARALIPGALOX5
SCHEMBL8053403 0.93 THRA (0.53) THRATHRBPPARALIPGALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4098666-A1 METHOD FOR PRODUCING MODIFIED POLYDIENES (VARIANTS) Public Joint Stock Company "Sibur Holding" (PJSC "Sibur Holding") (RU) 2022-12-07 EP disclosed
CN-114981316-A Process for producing branched polydienes 公共型股份公司希布尔控股 2022-08-30 CN disclosed
WO-2021126002-A1 PROCESS FOR PRODUCING BRANCHED POLYDIENE PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (PJSC "SIBUR HOLDING") (RU) 2021-06-24 WO disclosed
WO-2018088919-A1 METHOD FOR PRODUCING MODIFIED POLYDIENES, MODIFIED POLYDIENES PRODUCED THEREBY, AND RUBBER MIXTURES BASED ON THE PRODUCED MODIFIED POLYDIENES PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) 2018-05-17 WO disclosed