SCHEMBL8372172

SCHEMBL8372172

CC(C)CC([O])C(C)CCl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
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
SCHEMBL8373814 0.81 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL6275720 0.74
SCHEMBL8371166 0.74 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL8375203 0.74
SCHEMBL8373738 0.74 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL8372173 0.71
SCHEMBL4397482 0.69
SCHEMBL8375371 0.67
SCHEMBL8375376 0.67 TSHR (0.33) ALDH1A1TSHRMAPK1
SCHEMBL8373107 0.65 ALDH1A1 (0.31) ALDH1A1TSHRMAPK1

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-0619345-B1 Phthalocyanine compound and optical recording medium containing it MITSUI CHEMICALS INC (JP) 1999-08-25 EP disclosed
US-5750229-A Phthalocyanine compound and optical recording medium containing it MITSUI TOATSU CHEMICALS, INC. (JP) 1998-05-12 US disclosed
US-5646273-A FOR USE IN OPTICAL DISKS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-08 US disclosed
EP-0619345-A1 Phthalocyanine compound and optical recording medium containing it MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-10-12 EP disclosed