SCHEMBL16045201

SCHEMBL16045201

CC(C(OC(=O)c1ccccc1)c1ccccc1)C(OP(=O)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 4/20 0.41
TP53 P04637 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP19A1 P11511 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SLC6A4 P31645 1/20 0.38

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
SCHEMBL16113267 0.91 ALDH1A1 (0.40) ALDH1A1L3MBTL1NPC1RAB9AHTT
SCHEMBL16045168 0.91 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1RAB9AHTT
SCHEMBL16045169 0.91 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1RAB9AHTT
SCHEMBL16046043 0.85 L3MBTL1 (0.63) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL1082231 0.85 TSHR (0.53) ALDH1A1NPC1RAB9AHTTSMN1; SMN2
Ethylene Glycol SCHEMBL16487425 0.80 CYP1A1 (0.48) ALDH1A1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL16045770 0.79 ALDH1A1 (0.51) ALDH1A1L3MBTL1NPC1RAB9AHTT
SCHEMBL16044930 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1NPC1RAB9AHTT
SCHEMBL16044707 0.78 L3MBTL1 (0.58) ALDH1A1L3MBTL1SMN1; SMN2TSHRMEN1
SCHEMBL1072622 0.78 TSHR (0.49) ALDH1A1NPC1RAB9AHTTSMN1; SMN2

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
CN-109180843-B Non-phthalate compounds as electron donors for polyolefin catalysts 美国台塑公司 2022-03-01 CN claimed
EP-2969201-B1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORP USA (US) 2022-05-04 EP disclosed
CN-109180843-B Non-phthalate compounds as electron donors for polyolefin catalysts 美国台塑公司 2022-03-01 CN disclosed
US-9790291-B2 Non-phthalate compounds as electron donors for polyolefin catalysts FORMOSA PLASTICS CORPORATION, USA (US) 2017-10-17 US disclosed
US-20140275456-A1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-09-18 US disclosed