SCHEMBL3854993

SCHEMBL3854993

[CH2]C(F)(F)C(F)(F)C=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
MAOB P27338 3/20 0.42
NFE2L2 Q16236 5/20 0.41
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
TRPA1 O75762 2/20 0.37
CYP19A1 P11511 1/20 0.37
MAOA P21397 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL16439911 0.82 MAOB (0.46) ALDH1A1TSHRMAOBNFE2L2CYP2C19
SCHEMBL16439910 0.82 MAOB (0.46) ALDH1A1TSHRMAOBNFE2L2CYP2C19
SCHEMBL10415153 0.78 MAOB (0.42) ALDH1A1TSHRMAOBNFE2L2CYP2C19
SCHEMBL10415151 0.78 MAOB (0.42) ALDH1A1TSHRMAOBNFE2L2CYP2C19
SCHEMBL5352063 0.77 MAOB (0.41) ALDH1A1TSHRMAOBNFE2L2CYP2C19
SCHEMBL10522046 0.77 MAOB (0.41) ALDH1A1TSHRMAOBNFE2L2CYP2C19
SCHEMBL7174980 0.77 ALDH1A1 (0.43) ALDH1A1TSHRMAOBNFE2L2CYP2C19
SCHEMBL115403 0.77 NFE2L2 (0.54) ALDH1A1TSHRMAOBNFE2L2CYP2C19
SCHEMBL9800772 0.77 NFE2L2 (0.54) ALDH1A1TSHRMAOBNFE2L2CYP2C19
SCHEMBL2875295 0.77 NFE2L2 (0.54) ALDH1A1TSHRMAOBNFE2L2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021202269-A1 DENSE MODIFIED SILICA WITH SILANE COMPOUNDS AND METHODS OF MAKING AND USING SAME SABIC GLOBAL TECHNOLOGIES, B.V. (NL) 2021-10-07 WO claimed
WO-2021202269-A1 DENSE MODIFIED SILICA WITH SILANE COMPOUNDS AND METHODS OF MAKING AND USING SAME SABIC GLOBAL TECHNOLOGIES, B.V. (NL) 2021-10-07 WO disclosed
EP-2111241-A2 STENT WITH DIFFERENTIAL TIMING OF ABLUMINAL AND LUMINAL RELEASE OF A THERAPEUTIC AGENT Boston Scientific Limited (BB) 2009-10-28 EP disclosed
WO-2008063539-A2 STENT WITH DIFFERENTIAL TIMING OF ABLUMINAL AND LUMINAL RELEASE OF A THERAPEUTIC AGENT BOSTON SCIENTIFIC LIMITED (BB) 2008-05-29 WO disclosed