SCHEMBL8942683

SCHEMBL8942683

O=[N+]([O-])c1cccc(C(c2cccc([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
LMNA P02545 2/20 0.57
PTPRC P08575 1/20 0.51
ALDH1A1 P00352 5/20 0.48
ACHE P22303 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.48
HSP90AA1 P07900 1/20 0.47
KIF11 P52732 1/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL31290282 1.00 TSHR (0.57) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL9290836 0.89 ALDH1A1 (0.51) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL9291419 0.85 TP53 (0.55) TSHRLMNAPTPRCALDH1A1TDP1
SCHEMBL24710558 0.85 TSHR (0.57) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL11691192 0.85 TSHR (0.57) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL439710 0.85 TSHR (0.61) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL29703748 0.85 TSHR (0.61) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL9291230 0.84 KIF11 (0.45) TSHRLMNAPTPRCALDH1A1KIF11
SCHEMBL9778815 0.84 TSHR (0.56) TSHRLMNAPTPRCALDH1A1TDP1
Hydrochloric Acid SCHEMBL155430 0.83 KIF11 (0.59) TSHRLMNAPTPRCALDH1A1ACHE

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255887-B1 PROCESS FOR THE PREPARATION OF 2,2-BIS(3-NITROPHENYL)-HEXA-FLUOROPROPANE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP claimed
US-4774370-A Process for preparing 2,2-bis-(3-nitrophenyl)-hexafluoropropane, and 2,2-bis-(4-carboxy-3-nitrophenyl)-hexafluoropropane occurring as an intermediate HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-27 US claimed
EP-0255887-A1 Process for the preparation of 2,2-bis(3-nitrophenyl)-hexa-fluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-17 EP claimed
JP-8176073-A None JP disclosed
JP-H08176073-A 2,2-BIS-(4-CARBOXY-3-NITROPHENYL)-HEXAFLUOROPROPANE HOECHST AG 1996-07-09 JP disclosed
US-5283285-A Comprising an amine functionalized elastomer, a graft coupling agent; molding materials for sport, technical, household equipement; heat and chemical resistance ALLIEDSIGNAL INC. (US) 1994-02-01 US disclosed
EP-0297570-B1 2,2-BIS-(3-AMINOPHENYL)-HEXAFLUOROPROPANE DERIVATIVES AND PROCESS FOR THE PREPARATION OF 2,2-BIS-(3,4-DIAMINOPHENYL)-HEXAFLUOROPROPANE HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-05 EP disclosed
EP-0255887-B1 PROCESS FOR THE PREPARATION OF 2,2-BIS(3-NITROPHENYL)-HEXA-FLUOROPROPANE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed
EP-0255887-B1 PROCESS FOR THE PREPARATION OF 2,2-BIS(3-NITROPHENYL)-HEXA-FLUOROPROPANE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed
US-4922019-A Derivatives of 2,2-bis-(3-aminophenyl)hexafluoropropane and process for the preparation of 2,2-bis-(3,4-diaminophenyl)hexafluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
EP-0297570-A2 2,2-Bis-(3-aminophenyl)-hexafluoropropane derivatives and process for the preparation of 2,2-bis-(3,4-diaminophenyl)-hexafluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-04 EP disclosed
US-4774370-A Process for preparing 2,2-bis-(3-nitrophenyl)-hexafluoropropane, and 2,2-bis-(4-carboxy-3-nitrophenyl)-hexafluoropropane occurring as an intermediate HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-27 US disclosed
US-4774370-A Process for preparing 2,2-bis-(3-nitrophenyl)-hexafluoropropane, and 2,2-bis-(4-carboxy-3-nitrophenyl)-hexafluoropropane occurring as an intermediate HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-27 US disclosed
EP-0255887-A1 Process for the preparation of 2,2-bis(3-nitrophenyl)-hexa-fluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-17 EP disclosed
EP-0255887-A1 Process for the preparation of 2,2-bis(3-nitrophenyl)-hexa-fluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-17 EP disclosed
EP-0255887-A1 Process for the preparation of 2,2-bis(3-nitrophenyl)-hexa-fluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-17 EP disclosed
US-4720590-A [2,2,2-trihalo-1-(trihalomethyl)]ethylidene-bisbenzenethiols HUGHES AIRCRAFT COMPANY (US) 1988-01-19 US disclosed
EP-0129561-B1 2,2,2-TRIHALO-1-(TRIHALOMETHYL)ETHYLIDENE-BISBENZENETHIOLS Hughes Aircraft Company (US) 1986-02-12 EP disclosed
EP-0129561-A1 2,2,2-TRIHALO-1-(TRIHALOMETHYL)ETHYLIDENE-BISBENZENETHIOLS. HUGHES AIRCRAFT CO (US) 1985-01-02 EP disclosed
WO-1984002524-A1 2,2,2-TRIHALO-1-(TRIHALOMETHYL)ETHYLIDENE-BISBENZENETHIOLS HUGHES AIRCRAFT CO (US) 1984-07-05 WO disclosed