SCHEMBL7606629

SCHEMBL7606629

CC(C)(C)CO.CC(C)(Cl)CO

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2866371 0.92
Ammonia Solution, Strong SCHEMBL929891 0.88
Ammonia Solution, Strong SCHEMBL22437564 0.88
SCHEMBL5827 0.83
SCHEMBL5366981 0.80 TSHR (0.33) TSHRTDP1
Methane SCHEMBL11824338 0.79
SCHEMBL10837009 0.79 TSHR (0.39) TSHRTDP1
Ammonia Solution, Strong SCHEMBL2033177 0.79
SCHEMBL31460611 0.79
SCHEMBL28551603 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6475271-B2 WATER, A COLORANT, AND A LOW BOILING POINT PENETRANT ADDITIVE HAVING A BOILING POINT LESS THAN OR EQUAL TO ABOUT 115 DEGREES C.; HIGH QUALITY IMAGES WITH MINIMAL INTERCOLOR BLEED AND LOW MFLEN. XEROX CORPORATION 2002-11-05 US disclosed