SCHEMBL3269101

SCHEMBL3269101

O=C(Cl)c1ccc(C(c2ccc(C(=O)Cl)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
ALDH1A1 P00352 1/20 0.41
SRD5A2 P31213 1/20 0.39
GSK3B P49841 2/20 0.38
PTPN1 P18031 2/20 0.38
MLYCD O95822 3/20 0.36
RORC P51449 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9742730 0.89 ESR1 (0.42) ESR1ESR2CES2CES1ALDH1A1
SCHEMBL12696220 0.83 MAOB (0.43) ESR1ESR2ALDH1A1PTPN1NR4A2
SCHEMBL18393922 0.83 CES2 (0.45) CES2CES1ALDH1A1SRD5A2GSK3B
SCHEMBL103721 0.83 CES2 (0.50) CES2CES1ALDH1A1SRD5A2GSK3B
SCHEMBL68177 0.82 CES2 (0.67) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL31078115 0.81 MLYCD (0.54) MLYCDRORC
SCHEMBL10895274 0.80 CES2 (0.46) CES2CES1ALDH1A1SRD5A2GSK3B
SCHEMBL10892992 0.80 CES2 (0.46) CES2CES1ALDH1A1SRD5A2GSK3B
SCHEMBL336470 0.80 SRD5A2 (0.61) ESR1ESR2CES2CES1ALDH1A1
SCHEMBL18130710 0.79 PDE2A (0.44) CES2CES1ALDH1A1SRD5A2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120305484-A1 Thermally Rearranged (TR) Polymers as Membranes for Ethanol Dehydration BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-06 US claimed
WO-2012166153-A1 THERMALLY REARRANGED (TR) POLYMERS AS MEMBRANES FOR ETHANOL DEHYDRATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2012-12-06 WO claimed
EP-0399000-B1 LOW DIELECTRIC FLUORINATED POLY(PHENYLENE ETHER KETONE) FILM AND COATING US HEALTH (US) 1994-01-19 EP claimed
EP-0399000-A4 LOW DIELECTRIC FLUORINATED POLY(PHENYLENE ETHER KETONE) FILM AND COATING 1991-05-22 EP claimed
US-5011753-A Polyamides Containing Hexafluoroisopropylidene Groups Which May Be Cured To Form Polybenzoxazoles HOECHST CELANESE CORPORATION (US) 1991-04-30 US claimed
US-4987259-A Process of preparing 2,2-bis(4-aminophenyl)-hexafluoropropane CENTRAL GLASS COMPANY, LIMITED (JP) 1991-01-22 US claimed
EP-0399000-A1 LOW DIELECTRIC FLUORINATED POLY(PHENYLENE ETHER KETONE) FILM AND COATING. US HEALTH (US) 1990-11-28 EP claimed
EP-0397024-A1 Polyamide polymers having 12-f fluorine-containing linking groups HOECHST CELANESE CORPORATION (US) 1990-11-14 EP claimed
US-4962181-A FROM AROMATIC ETHER-CONTAINING DIAMINES; HEAT RESISTANCE, STABILITY, STRENGTH, WORKABILITY; FOR FILMS HOECHST CELANESE CORP. (US) 1990-10-09 US claimed
WO-1990003407-A1 LOW DIELECTRIC FLUORINATED POLY(PHENYLENE ETHER KETONE) FILM AND COATING THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1990-04-05 WO claimed
US-4902769-A Low dielectric fluorinated poly(phenylene ether ketone) film and coating THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1990-02-20 US claimed
US-4866155-A HEAT, RADIATION RESISTANCE; TRANSPARENCY HOECHST CELANESE CORPORATION (US) 1989-09-12 US claimed
EP-0323561-A2 Polyesters of bis (2-(4-hydroxyphenyl) hexafluoroisopropyl)- diphenyl ether HOECHST CELANESE CORPORATION (US) 1989-07-12 EP claimed
US-4845183-A MOLDING MATERIALS; FOR DIELECTRICS OR COATING SOLUTIONS; TOUGHNESS, FLEXIBILITY, TRANSPARENT HOECHST CELANESE CORPORATION (US) 1989-07-04 US claimed
JP-2142826-A None JP disclosed
JP-2000633-A None JP disclosed
JP-2001432-A None JP disclosed
EP-0317944-A2 Polymers prepared from 4,4'-bis-(2-(amino (halo) phenoxyphenyl) hexafluoroisopropyl) diphenyl ether HOECHST CELANESE CORPORATION (US) 1989-05-31 EP disclosed
US-4822868-A Polycarbonamide of bis(2-(4-carboxyphenyl)-hexafluoroisopropyl)diphenyl ether HOECHST CELANESE CORPORATION (US) 1989-04-18 US disclosed
EP-0264678-A1 Polyamides with hexafluoroisopropylidene groups, positively acting photosensitive compositions, and recording materials using them HOECHST CELANESE CORPORATION (US) 1988-04-27 EP disclosed