SCHEMBL9357293

SCHEMBL9357293

F[B-](F)(F)F.c1ccc(C[S+](Cc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.36
IDO1 P14902 2/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
AGXT P21549 2/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
TP53 P04637 1/20 0.33
TRPA1 O75762 1/20 0.33
FAAH O00519 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
ELANE P08246 1/20 0.32
PRTN3 P24158 1/20 0.32
PRSS3 P35030 1/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAOB P27338 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 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
SCHEMBL157503 0.91 CALM1 (0.43) CALM1IDO1TSHRALDH1A1AGXT
SCHEMBL9357281 0.86 CYP1A2 (0.40) IDO1TSHRALDH1A1AGXTTP53
SCHEMBL5693416 0.82 TSHR (0.39) CALM1IDO1TSHRALDH1A1LOXL2
SCHEMBL1323333 0.79 CES2 (0.34) CALM1IDO1ALDH1A1FAAHPRSS1
SCHEMBL4854802 0.78 TP53 (0.36) CALM1IDO1TSHRALDH1A1LOXL2
SCHEMBL9243767 0.77 LMNA (0.36) TP53TDP1
SCHEMBL9456777 0.76 CALM1 (0.39) CALM1IDO1TSHRALDH1A1LOXL2
SCHEMBL154781 0.76 LMNA (0.45) IDO1TSHRTDP1TAAR1
SCHEMBL390922 0.74 TP53 (0.40) CALM1IDO1TSHRALDH1A1LOXL2
SCHEMBL8757718 0.74 TP53 (0.40) CALM1IDO1TSHRALDH1A1LOXL2

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
EP-0424314-B1 Heat curable mixtures CIBA GEIGY AG (CH) 1994-12-07 EP disclosed
US-5247113-A Curing agents or curing accelerators for epoxy resins CIBA-GEIGY CORPORATION (US) 1993-09-21 US disclosed
EP-0379464-B1 ARALIPHATIC SULFONIUM SALTS AND THEIR USE CIBA-GEIGY AG (CH) 1993-02-10 EP disclosed
US-5149767-A Epoxy compound or resin and polyisocyanate; high heat distortion point CIBA-GEIGY CORPORATION (US) 1992-09-22 US disclosed
US-5013814-A Araliphatic sulfonium salts and their use CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed
EP-0424314-A2 Heat curable mixtures CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed
EP-0379464-A1 Araliphatic sulfonium salts and their use CIBA-GEIGY AG (CH) 1990-07-25 EP disclosed