SCHEMBL29960683

SCHEMBL29960683

C=Cc1ccc(-c2c(F)c(F)c(Br)c(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL29960969 0.98 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
SCHEMBL30525460 0.80
Lithium Ion SCHEMBL29960955 0.77 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL16683034 0.73 TDP1 (0.50) ALDH1A1TDP1
SCHEMBL15987215 0.72 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL11671543 0.71 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HDAC8
SCHEMBL583978 0.69 ALDH1A1 (0.79) ALDH1A1TSHRTDP1HDAC8
SCHEMBL593791 0.69 ALDH1A1 (0.79) ALDH1A1TSHRTDP1HDAC8
SCHEMBL13267806 0.69 NFE2L2 (0.42) ALDH1A1
SCHEMBL8758686 0.69 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116636328-A Compound, coating composition comprising the same, organic light emitting device using the same, and method for manufacturing the same 株式会社LG化学 2023-08-22 CN disclosed
WO-2022203454-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2022-09-29 WO disclosed