SCHEMBL4147757

SCHEMBL4147757

CC(C)C#N.CC(C)C#N.CC(C)C#N.CC(C)C#N.CC(C)C#N.CC(C)C#N.[W]

nearest known ligand 0.90

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.90
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL27730307 1.00
Water SCHEMBL27509838 0.95
Water SCHEMBL28118224 0.95 TSHR (1.00) TSHRALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL14877 0.95
SCHEMBL9492341 0.95 TSHR (1.00) TSHRALDH1A1CYP3A4ALOX15HIF1A
Charcoal, Activated SCHEMBL29511178 0.90
SCHEMBL11466524 0.90
Hydrochloric Acid SCHEMBL28476386 0.90 TSHR (0.90) TSHRALDH1A1CYP3A4ALOX15HIF1A
Hydrochloric Acid SCHEMBL22531397 0.90
SCHEMBL16013108 0.90

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