SCHEMBL8905547

SCHEMBL8905547

CC(C)(C)c1cccc(C(C)(C)C)c1OC(C[AlH2])Oc1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
ALDH1A1 P00352 5/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H4 Q96RI1 1/20 0.31
NLRP3 Q96P20 1/20 0.31
GAA P10253 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL8905555 0.81 CA2 (0.39) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL1626990 0.79 SMN1; SMN2 (0.41) CA2ALDH1A1SMN1; SMN2
SCHEMBL3678167 0.79 CYP1A2 (0.33) GABRA1GABRB2TSHR
SCHEMBL1304345 0.78 CA2 (0.43) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL29277847 0.76 CA2 (0.38) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL3367136 0.74 CA2 (0.43) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL8905124 0.74 CA2 (0.43) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL814741 0.73 CA2 (0.32) CA2ALDH1A1
Hydrochloric Acid SCHEMBL28336908 0.72 CA2 (0.41) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL20268794 0.72 CA2 (0.41) CA2ALDH1A1GABRA1GABRB2TSHR

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
US-5656704-A POLYMETHYL METHACRYLATE; HIGH STRENGTH, HEAT RESISTANT, RADIATION TRANSPARENT ELF ATOCHEM S.A. (FR) 1997-08-12 US claimed
US-20200109239-A1 CARBON DIOXIDE MEDIATED ANIONIC RING OPENING POLYMERIZATION OF CYCLIC ESTERS UNIV KING ABDULLAH SCI & TECH (SA) 2020-04-09 US disclosed
EP-3555171-A1 CARBON DIOXIDE MEDIATED ANIONIC RING OPENING POLYMERIZATION OF CYCLIC ESTERS King Abdullah University Of Science And Technology (SA) 2019-10-23 EP disclosed
WO-2018109721-A1 CARBON DIOXIDE MEDIATED ANIONIC RING OPENING POLYMERIZATION OF CYCLIC ESTERS KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2018-06-21 WO disclosed
US-5656704-A POLYMETHYL METHACRYLATE; HIGH STRENGTH, HEAT RESISTANT, RADIATION TRANSPARENT ELF ATOCHEM S.A. (FR) 1997-08-12 US disclosed