SCHEMBL25699829

SCHEMBL25699829

C=CC(=O)OCCCCCCCCCCCOc1ccc(C(=O)Cc2ccc(CC(=O)c3ccc(OCCCCCCCCCCCOC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HTT P42858 3/20 0.51
▸ GAA P10253 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ HRH2 P25021 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ TP53 P04637 1/20 0.41

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
SCHEMBL21376945 0.92 RAB9A (0.47) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL29343551 0.91 THRB (0.46) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL25138398 0.91 HTT (0.44) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL25138400 0.91 HTT (0.44) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL25138384 0.91 HTT (0.44) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL12963398 0.90 TSHR (0.48) TSHRTHRBHPGDTP53
SCHEMBL25138399 0.88 THRB (0.43) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL24134684 0.88 THRB (0.46) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL12604047 0.88 TSHR (0.50) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL14426396 0.88 KMT2A (0.45) TSHRALDH1A1CYP3A4THRBHTT

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
US-20230183574-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL CURED LAYER, OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-06-15 — — US disclosed
US-20230183574-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL CURED LAYER, OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-06-15 — — US disclosed
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