SCHEMBL21577962

SCHEMBL21577962

C=CC(=O)OCCCCCCOC(=O)C1CCC(C(=O)OC2CCC(C(=O)OC)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HPGD P15428 1/20 0.42
▸ TP53 P04637 3/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL12082623 0.99 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13777427 0.96 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12082402 0.91 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13107541 0.88 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14907476 0.88 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22667598 0.88 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL24511866 0.88 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12082454 0.88 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12087290 0.88 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17123556 0.87 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53

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-11225605-B2 Polymerizable liquid crystal compound, method for producing polymerizable liquid crystal compound, polymerizable liquid crystal composition, optically anisotropic film, optical film, polarizing plate, and image display device FUJIFILM CORPORATION (JP) 2022-01-18 — — US disclosed
US-20190352567-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, METHOD FOR PRODUCING POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC FILM, OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2019-11-21 — — US disclosed
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