SCHEMBL5715658

SCHEMBL5715658

CCCCCCNCC.Cc1c(F)c(F)c(F)c(C(F)(F)F)c1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX2 P34913 1/20 0.31
KDM1A O60341 1/20 0.31
EPHX1 P07099 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5716163 0.88 TSHR (0.32) TSHRALDH1A1
SCHEMBL5715981 0.87 EPHX1 (0.43) EPHX2EPHX1
SCHEMBL5715814 0.84 KCNH2 (0.30)
SCHEMBL5716458 0.83 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL5716536 0.83 ALDH1A1 (0.31) TSHRALDH1A1
Boric Acid SCHEMBL6793759 0.83 EPHX1 (0.39) EPHX2EPHX1
SCHEMBL5716588 0.82
SCHEMBL5716233 0.81 EPHX1 (0.33) EPHX1
SCHEMBL5715670 0.79 ALDH1A1 (0.37) TSHRALDH1A1EPHX2EPHX1MEN1
SCHEMBL5715705 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661900-A1 Olefin polymerization cocatalysts derived from group-15 cationic compounds and processes using them ExxonMobil Chemical Patents Inc. (US) 2006-05-31 EP disclosed
EP-1252166-B1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 CATIONIC COMPOUNDS AND PROCESSES USING THEM EXXONMOBIL CHEM PATENTS INC (US) 2005-11-09 EP disclosed