SCHEMBL5604684

SCHEMBL5604684

O=C(OCc1ccccc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
ALDH1A1 P00352 6/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
CES2 O00748 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
Trichloroacetic Acid SCHEMBL8206835 0.92 MAOB (0.47) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL13883939 0.88 MAOB (0.51) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL5583251 0.85 MAOB (0.53) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL5583377 0.85 MAOB (0.57) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL10401047 0.84 CA2 (0.49) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL20548567 0.84 MAOB (0.56) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL7603661 0.83 GPR35 (0.42) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL286962 0.82 MAOB (0.56) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL8825704 0.82 MAOB (0.45) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL5932809 0.81 MAOB (0.55) MAOBALDH1A1HTTTSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010029028-A1 Method and apparatus for combinatorial chemistry FOOTE, ROBERT S. 2001-10-11 US claimed
EP-1239332-B1 PHOTOSENSITIVE POLYSILAZANE COMPOSITION, METHOD OF FORMING PATTERN THEREFROM, AND METHOD OF BURNING COATING FILM THEREOF AZ ELECTRONIC MATERIALS USA (US) 2007-02-21 EP disclosed
US-6902875-B2 Photosensitive polysilazane composition, method of forming pattern therefrom, and method of burning coating film thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2005-06-07 US disclosed
US-20040081912-A1 Photosensitive polysilazane composition and method of forming patterned polysilazane film AZ ELECTRONIC MATERIALS USA CORP. 2004-04-29 US disclosed
US-20030113657-A1 Photosensitive ploysilazane composition, method of forming pattern therefrom, and method of burning coating film thereof MERCK PATENT GMBH (DE) 2003-06-19 US disclosed
EP-1239332-A1 PHOTOSENSITIVE POLYSILAZANE COMPOSITION, METHOD OF FORMING PATTERN THEREFROM, AND METHOD OF BURNING COATING FILM THEREOF CLARIANT INTERNATIONAL LTD. (CH) 2002-09-11 EP disclosed
EP-1164435-A1 PHOTOSENSITIVE POLYSILAZANE COMPOSITION AND METHOD OF FORMING PATTERNED POLYSILAZANE FILM TonenGeneral Sekiyu K.K. (JP) 2001-12-19 EP disclosed
US-4980096-A Protective coatings; adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-25 US disclosed
US-4740600-A UNBLOCKING WITH ACTINIC RADIATION; PROTECTIVE COATING; THERMOPLASTIC RESIN MIXTURES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-04-26 US disclosed
US-4599273-A PROTECTIVE COATINGS, PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1986-07-08 US disclosed
EP-0046083-B1 PHOTOLABILE BLOCKED SURFACTANTS AND COMPOSITIONS CONTAINING THE SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-10-16 EP disclosed
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 US disclosed
EP-0046083-A2 Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 EP disclosed