SCHEMBL7729495

SCHEMBL7729495

O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
THRB P10828 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.31

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
SCHEMBL5705237 1.00 TSHR (0.38) TSHRKDM4ETDP1L3MBTL1HTT
SCHEMBL10617895 1.00 TSHR (0.38) TSHRKDM4ETDP1L3MBTL1HTT
SCHEMBL3423677 1.00 TSHR (0.38) TSHRKDM4ETDP1L3MBTL1HTT
SCHEMBL2796672 0.91 KDM4E (0.40) TSHRKDM4ETDP1
SCHEMBL7733766 0.90 THRB (0.45) TSHRKDM4ETDP1L3MBTL1HTT
SCHEMBL8103486 0.85 THRB (0.41) TSHRKDM4ETDP1L3MBTL1HTT
SCHEMBL28464094 0.83 THRB (0.32) THRB
SCHEMBL10831355 0.83 THRB (0.32) THRB
SCHEMBL28461375 0.83 THRB (0.32) THRB
SCHEMBL11904370 0.83 THRB (0.46) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11024306-A None JP disclosed
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
JP-H1124306-A ELECTROPHOTOGRAPHIC TONER AND IMAGE FORMING METHOD FUJI XEROX CO LTD 1999-01-29 JP disclosed
WO-1998057173-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-17 WO disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
WO-1998008813-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0825164-A2 Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
US-4764623-A N-(1H-tetrazol-5-yl-alkylphenyl)polyfluoroalkanamides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-08-16 US disclosed
US-4585732-A MAGENTA COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1986-04-29 US disclosed