SCHEMBL4933345

SCHEMBL4933345

F[B-](F)(F)F.N#[N+]Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
IDO1 P14902 1/20 0.35
TP53 P04637 1/20 0.35
TRPA1 O75762 1/20 0.35
FAAH O00519 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
ELANE P08246 1/20 0.33
PRTN3 P24158 1/20 0.33
PRSS3 P35030 1/20 0.33
MAOB P27338 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A1 P04798 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
SCHEMBL1595018 0.90
Hydrochloric Acid SCHEMBL9014964 0.87 CALM1 (0.43) CALM1ALDH1A1TSHRLOXL2IDO1
Bromide SCHEMBL9014959 0.87 CALM1 (0.43) CALM1ALDH1A1TSHRLOXL2IDO1
SCHEMBL28770901 0.86 CALM1 (0.38) CALM1ALDH1A1TSHRLOXL2IDO1
SCHEMBL29169705 0.77 TSHR (0.37) TSHRPRSS1PRSS2PRSS3HPGD
SCHEMBL3295159 0.77 TAAR1 (0.37) ALDH1A1IDO1MAOBCYP2A6HTR2A
SCHEMBL29037444 0.76 ALDH1A1 (0.47) ALDH1A1TSHRTP53HPGDHSD17B10
Acetic Acid SCHEMBL27837537 0.74 CES2 (0.45) ALDH1A1TSHRMAOBSMN1; SMN2
SCHEMBL9672376 0.73 IDO1 (0.45) CALM1ALDH1A1TSHRIDO1TP53
SCHEMBL11444843 0.73 ALDH1A1 (0.48) CALM1ALDH1A1TSHRTP53ALOX15

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
CN-118159309-A Novel device for treating cerebral aneurysms 国家医疗保健研究所 2024-06-07 CN disclosed
CN-107406337-B Ink-jet printing on fiber cement products 埃特尼特有限公司 2022-06-07 CN disclosed
US-8206570-B2 Includes electrolysis of a solution containing an adhesion primer in contact with a surface followed by a reaction at the surface obtained, of a solution containing a protic solvent, and a radically polymerizable monomer COMMISSARIAT A L'ENERGIE ATOMIQUE, ETABLISSEMENT PUBLIC A CARACTERE INDUSTRIEL ET COMMERCIAL (FR) 2012-06-26 US disclosed
US-20080087550-A1 PROCESS FOR FORMING ORGANIC FILMS ON ELECTRICALLY CONDUCTIVE OR SEMI-CONDUCTIVE SURFACES USING AQUEOUS SOLUTIONS IN TWO STEPS COMMISSARIAT A L' ENERGIE ATOMIQUE, Etablissement Public a caractere Industriel et Commercial (FR) 2008-04-17 US disclosed