SCHEMBL8715366

SCHEMBL8715366

CCC(CCC[O])C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL2537156 0.80
SCHEMBL6942427 0.80 TSHR (0.40) TSHR
SCHEMBL20490039 0.78 FDPS (0.34)
SCHEMBL11496837 0.78 CA2 (0.42) TSHRCA2MAPK1
SCHEMBL19565241 0.76 FDPS (0.43) TSHRCA2MAPK1
SCHEMBL8399238 0.76 TSHR (0.33) TSHR
SCHEMBL4392413 0.75
SCHEMBL598909 0.75 TSHR (0.36) TSHR
SCHEMBL1823104 0.74 TSHR (0.38) TSHRCA2MAPK1
SCHEMBL9242529 0.74 DNM1 (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373643-B1 Near infrared absorbers and display/recording materials prepared by using same MITSUI TOATSU CHEMICALS (JP) 1998-01-21 EP disclosed
US-5409634-A Useful for optical cards, filters, transmission and liquid crystal display elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-25 US disclosed
US-5296162-A Liquid crystal element containing phthalocyanine derivative MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-03-22 US disclosed
US-5124067-A Sterically hindered phthalocyanines MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-06-23 US disclosed