SCHEMBL258577

SCHEMBL258577

C=C(C)C(=O)OCCCOC(=O)CCP(=O)(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
CFTR P13569 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RY10 O00398 1/20 0.33

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
SCHEMBL258548 0.95 CFTR (0.46) POLBTDP1APEX1HTTCFTR
SCHEMBL258657 0.91 CFTR (0.43) POLBTDP1APEX1HTTCFTR
SCHEMBL13109398 0.84 ALDH1A1 (0.41) POLBCFTRSMN1; SMN2PKMALDH1A1
SCHEMBL13109378 0.83 LPAR1 (0.44) POLBCFTRSMN1; SMN2PKMALDH1A1
SCHEMBL7616480 0.83 CFTR (0.50) POLBTDP1CFTRSMN1; SMN2PKM
SCHEMBL13109387 0.81 SMN1; SMN2 (0.40) POLBTDP1APEX1HTTCFTR
SCHEMBL28397967 0.81 SMN1; SMN2 (0.50) POLBTDP1CFTRSMN1; SMN2PKM
SCHEMBL9291175 0.81 LMNA (0.49) CFTRALDH1A1TSHRP2RY10
SCHEMBL13498174 0.80 CFTR (0.50) POLBTDP1CFTRSMN1; SMN2PKM
SCHEMBL13109392 0.80 POLB (0.40) POLBCFTRSMN1; SMN2PKMALDH1A1

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
CN-111088544-B Flame retardant, flame-retardant acrylic fiber and preparation method thereof 中国石油化工股份有限公司 2022-08-12 CN disclosed
CN-111088544-A Flame retardant, flame-retardant acrylic fiber and preparation method thereof 中国石油化工股份有限公司 2020-05-01 CN disclosed
US-8063123-B2 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT FINANCE (BVI) LIMITED (VG) 2011-11-22 US disclosed
US-20070225414-A1 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT INTERNATIONAL LTD 2007-09-27 US disclosed