SCHEMBL24254732

SCHEMBL24254732

Cc1cc(-c2ccc(N(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(C)c2)ccc1N(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL24254739 1.00 ALDH1A1 (0.32) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL24254726 0.88 CYP3A4 (0.32) CYP3A4
SCHEMBL24254684 0.81 TSHR (0.32) TSHR
SCHEMBL24254685 0.79 TNKS2 (0.32) ALDH1A1
SCHEMBL24254682 0.79 PTGS2 (0.31)
SCHEMBL24254690 0.76 HTT (0.33) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL16883023 0.72 TSHR (0.33) TSHR
SCHEMBL24254731 0.71 RXRA (0.31) CYP3A4
SCHEMBL24254686 0.71 RXRA (0.33)
SCHEMBL9097370 0.69 TDP1 (0.39) ALDH1A1CYP3A4TSHRTDP1

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
WO-2022034907-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2022-02-17 WO disclosed