SCHEMBL4161702

SCHEMBL4161702

CCCC#N.CCCC#N.CCCC#N.CCCC#N.CCCC#N.CCCC#N.[W]

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
LOX P28300 1/20 0.39
LOXL3 P58215 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CYP3A4 P08684 1/20 0.39
NLRP3 Q96P20 1/20 0.36
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL27750848 1.00
Water SCHEMBL28254801 0.96 TSHR (0.62) TSHRALDH1A1TDP1LOXLOXL3
Water SCHEMBL11344535 0.96
SCHEMBL22628 0.96
SCHEMBL28208107 0.96 TSHR (0.62) TSHRALDH1A1TDP1LOXLOXL3
Charcoal, Activated SCHEMBL31050920 0.92
Bromide SCHEMBL6543945 0.92
Hydrochloric Acid SCHEMBL7224294 0.92
Ammonia Solution, Strong SCHEMBL28434463 0.92
Propane SCHEMBL8012439 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090022891-A1 METHOD OF FORMING METAL FILM JSR CORPORATION (JP) 2009-01-22 US disclosed
EP-1995347-A1 METHOD OF FORMING METAL FILM JSR Corporation (JP) 2008-11-26 EP disclosed