SCHEMBL18699003

SCHEMBL18699003

C=CC(=O)OCCCCCCOC1CCC(C(=O)OC2CCC(OC)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.40
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
LSS P48449 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 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
SCHEMBL10040443 0.94 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12082427 0.90 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10040444 0.90 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL19039551 0.90 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13107535 0.89 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18472499 0.89 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13107565 0.89 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12087290 0.88 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12082406 0.87 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18698939 0.87 TSHR (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060947-B1 METHOD OF PREPARING A BIREFRINGENT POLYMER FILM MERCK PATENT GMBH (DE) 2021-04-14 EP disclosed
EP-2864444-B1 METHOD OF PREPARING A BIREFRINGENT POLYMER FILM MERCK PATENT GMBH (DE) 2018-08-01 EP disclosed
US-9611428-B2 Liquid-crystalline medium and electro-optical liquid-crystal display MERCK PATENT GMBH (DE) 2017-04-04 US disclosed