SCHEMBL17607338

SCHEMBL17607338

CC(C)O[Ti](Oc1ccccc1)(Oc1ccccc1)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.39
LMNA P02545 2/20 0.38
SCN4A P35499 2/20 0.36
LTA4H P09960 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
PTGS1 P23219 2/20 0.34
MAOA P21397 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL9474171 0.95 CA4 (0.39) CA4LMNASCN4ALTA4HTSHR
SCHEMBL30519979 0.85 LMNA (0.32) CA4LMNASCN4AL3MBTL1ATM
SCHEMBL3817885 0.78 CYP2A6 (0.48) GAA
SCHEMBL193709 0.77 LTA4H (0.50) CA4SCN4ALTA4HTSHRL3MBTL1
SCHEMBL8994032 0.74 TDP1 (0.43) TSHRMAOAALDH1A1POLBMEN1
SCHEMBL11393230 0.73 CA4 (0.50) CA4LMNALTA4HTSHRL3MBTL1
SCHEMBL20513311 0.72 CA4 (0.34) CA4LMNALTA4HTSHRL3MBTL1
SCHEMBL20513502 0.72 CA4 (0.34) CA4LMNALTA4HTSHRL3MBTL1
SCHEMBL6329785 0.70 CA4 (0.46) CA4LMNALTA4HTSHRL3MBTL1
SCHEMBL20513274 0.70 ALDH1A1 (0.31) L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687969-B1 METHOD OF PREPARING ESTERS OF TEREPHTHALIC ACID SIBUR HOLDING PUBLIC JOINT STOCK CO (RU) 2023-08-02 EP claimed
CN-111132957-B Process for preparing esters of terephthalic acid 公共型股份公司希布尔控股 2023-06-09 CN claimed
EP-3687969-A1 METHOD OF PREPARING ESTERS OF TEREPHTHALIC ACID Public Joint Stock Company "Sibur Holding" (RU) 2020-08-05 EP claimed
EP-3194357-B1 PROCESS FOR PREPARING CARBOXYLIC ACID ESTERS IN THE PRESENCE OF A TITANIUM-CONTAINING CATALYST SIBUR HOLDING PUBLIC JOINT STOCK CO (RU) 2019-05-08 EP claimed
WO-2019066671-A1 METHOD OF PREPARING ESTERS OF TEREPHTHALIC ACID PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) 2019-04-04 WO claimed
EP-3194357-A1 PROCESS FOR PREPARING CARBOXYLIC ACID ESTERS IN THE PRESENCE OF A TITANIUM-CONTAINING CATALYST Public Joint Stock Company "Sibur Holding" (RU) 2017-07-26 EP claimed
WO-2016043616-A1 PROCESS FOR PREPARING CARBOXYLIC ACID ESTERS IN THE PRESENCE OF A TITANIUM-CONTAINING CATALYST PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) 2016-03-24 WO claimed