SCHEMBL5517347

SCHEMBL5517347

Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
AKT1 P31749 1/20 0.37
KIF11 P52732 2/20 0.35
NQO2 P16083 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CACNA1H O95180 1/20 0.34
IL1B P01584 2/20 0.34
P2RX1 P51575 2/20 0.33
PDE2A O00408 1/20 0.33
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL391593 0.87 CES2 (0.45) CES2KIF11ALDH1A1CACNA1H
SCHEMBL23542395 0.85 CA2 (0.46) KDM4EALDH1A1MEN1KMT2A
SCHEMBL23542364 0.85 ALDH1A1 (0.43) CES2KDM4EALDH1A1MEN1KMT2A
SCHEMBL28775198 0.81 CES2 (0.41) CES2AKT1NQO2KDM4EALDH1A1
SCHEMBL16772949 0.79 CYP1A2 (0.43) CES2AKT1IL1BP2RX1
SCHEMBL21490270 0.79 CES2 (0.39) CES2AKT1KIF11NQO2KDM4E
SCHEMBL24114399 0.77 AKT1 (0.41) CES2AKT1KDM4EALDH1A1IL1B
SCHEMBL21083093 0.77 CA2 (0.54) KDM4EALDH1A1MEN1KMT2A
SCHEMBL31405106 0.77 CES2 (0.38) CES2AKT1NQO2KDM4EALDH1A1
SCHEMBL5516199 0.77 CES2 (0.38) CES2AKT1NQO2KDM4EALDH1A1

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
CN-111372918-B Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2023-09-05 CN disclosed
CN-114514232-A Organic electroluminescent element and electronic device 出光兴产株式会社 2022-05-17 CN disclosed
CN-114450815-A Organic electroluminescent element and electronic device 出光兴产株式会社 2022-05-06 CN disclosed
CN-111868954-A Organic electroluminescent element and electronic device 出光兴产株式会社 2020-10-30 CN disclosed
CN-111868953-A Organic electroluminescent element and electronic device 出光兴产株式会社 2020-10-30 CN disclosed
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed