SCHEMBL2589832

SCHEMBL2589832

Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc2c([I+]c3cccc4ccccc34)cccc2c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP2A6 P11509 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ HPRT1 P00492 2/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30
▸ KDM1A O60341 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
SCHEMBL5416211 0.86 CYP2A6 (0.34) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL4838080 0.82 SLC6A4 (0.32) ALDH1A1CYP2A6CYP1A2CYP2D6
SCHEMBL1134113 0.81 ALDH1A1 (0.42) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL795439 0.80 ALDH1A1 (0.50) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL30516319 0.80 ALDH1A1 (0.50) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL5909814 0.77 ALDH1A1 (0.39) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL6609964 0.74 ACHE (0.37) TSHR
SCHEMBL2900789 0.73 CA1 (0.35) ALDH1A1CYP1A2KEAP1
SCHEMBL10953327 0.70 NR4A1 (0.38) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL11296618 0.70 NR4A1 (0.38) ALDH1A1CYP2A6TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288997-B1 ADHESIVE COMPOSITIONS POWDERTECH BICESTER LTD (GB) 2020-12-30 — — EP disclosed
US-10689547-B2 Adhesive compositions POWDERTECH (BICESTER) LIMITED (GB) 2020-06-23 — — US disclosed
US-20180355214-A1 ADHESIVE COMPOSITIONS POWDERTECH (BICESTER) LIMITED (GB) 2018-12-13 — — US disclosed
EP-3288997-A1 ADHESIVE COMPOSITIONS Powdertech (Bicester) Limited (GB) 2018-03-07 — — EP disclosed
WO-2016174469-A1 ADHESIVE COMPOSITIONS POWDERTECH (BICESTER) LIMITED (GB) 2016-11-03 — — WO disclosed
US-8048981-B2 Thermally curable compositions and method GENERAL ELECTRIC COMPANY (US) 2011-11-01 — — US disclosed
US-20080051553-A1 Thermally curable compositions and method GENERAL ELECTRIC COMPANY 2008-02-28 — — US disclosed
US-6613437-B1 Two-component preparations comprising components (I) and (II), wherein at least one component comprises epoxy compounds and the preparations cure by cationic polymerization, initiated by Lewis and/or Bronsted acids, after mixing of the two 3M ESPE AG (DE) 2003-09-02 — — US disclosed
US-6084004-A MIXTURES OF EPOXY COMPOUNDS, DIARYLIODINIUM COMPOUNDS, ALPHA-DICARBONYL COMPOUNDS, AROMATIC AMINES, FILLERS AND ADJUVANTS WHICH POLYMERIZE TO YIELD STRONG TRANSPARENT PLASTICS FOR DENTAL PROSTHETICS ESPE DENTAL AG (DE) 2000-07-04 — — US disclosed
Send feedback