SCHEMBL21624969

SCHEMBL21624969

C=CC(=O)OC(C)SC(C)CC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.41
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 2/20 0.31

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
SCHEMBL672391 0.84 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2432049 0.80 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7709947 0.80 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21385196 0.79 TSHR (0.39) TSHRHPGD
SCHEMBL4307337 0.78 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2425036 0.77 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29134968 0.77 TSHR (0.39) TSHRHPGD
SCHEMBL673221 0.76 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28107882 0.76 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7563890 0.75 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A

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-111936524-B Photochromic curable composition 株式会社德山 2022-09-23 CN disclosed
WO-2020017610-A1 PHOTOCHROMIC COMPOUND AND CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND 株式会社トクヤマ 2020-01-23 WO disclosed