SCHEMBL4600375

SCHEMBL4600375

CCCCOCCN(Cc1ccccc1)c1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(N(CCOCCCC)Cc3ccccc3)c2F)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
TSHR P16473 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
SCHEMBL599292 0.99 TSHR (0.31) TSHR
SCHEMBL267593 0.82 LPAR1 (0.32)
SCHEMBL4580105 0.81 S1PR1 (0.34) NR1H2NR1H3
SCHEMBL266308 0.81 LPAR1 (0.31)
SCHEMBL17237535 0.80 SLC6A2 (0.31)
SCHEMBL269040 0.76
SCHEMBL4650904 0.75 AGER (0.34) HPGD
SCHEMBL2836901 0.74 LPAR1 (0.36) HPGD
SCHEMBL483042 0.74 POLB (0.40) ALDH1A1
SCHEMBL483248 0.73 CYP2C19 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7455954-B2 Lithographic printing plate precursor and polymerizable composition FUJIFILM CORPORATION (JP) 2008-11-25 US disclosed
EP-1685958-B1 Lithographic printing plate precursor and polymerizable composition FUJIFILM CORP (JP) 2008-09-10 EP disclosed
EP-1685958-A1 Lithographic printing plate precursor and polymerizable composition Fuji Photo Film Co., Ltd. (JP) 2006-08-02 EP disclosed
US-20050026075-A1 Lithographic printing plate precursor and polymerizable composition FUJI PHOTO FILM CO., LTD. 2005-02-03 US disclosed
EP-1502735-A2 Lithographic printing plate precursor and polymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 2005-02-02 EP disclosed