SCHEMBL8537810

SCHEMBL8537810

C=C(CC)C(=O)OCCCCO

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ACHE P22303 6/20 0.43
NAAA Q02083 1/20 0.39
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL8536455 0.98 TSHR (0.52) TSHRACHENAAACYP4F2CYP4A11
SCHEMBL5709205 0.94 TSHR (0.46) TSHRACHENAAACYP4F2CYP4A11
SCHEMBL9646938 0.92 TSHR (0.55) TSHRACHENAAATHRBALDH1A1
SCHEMBL19456885 0.87 TSHR (0.50) TSHRACHENAAATHRBALDH1A1
Ethylene Glycol SCHEMBL5469504 0.87 TSHR (0.62) TSHRACHENAAATHRBALDH1A1
SCHEMBL374970 0.86 TSHR (0.66) TSHRACHENAAAALDH1A1HPGD
SCHEMBL173351 0.85 TSHR (0.41) TSHRACHENAAATHRBALDH1A1
SCHEMBL8079396 0.84 TSHR (0.40) TSHRACHECYP4F2CYP4A11ALDH1A1
SCHEMBL3627611 0.84 TSHR (0.69) TSHRACHENAAAALDH1A1RAD52
SCHEMBL11803516 0.84 TSHR (0.69) TSHRACHENAAAALDH1A1RAD52

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
CN-108101552-B Copolymer ceramic body reinforcing agent based on cyclodextrin and ATRP preparation method thereof 湖南辰砾新材料有限公司 2020-03-27 CN disclosed
EP-0557131-B1 Process for making a polymer-supported catalyst ROHM & HAAS (US) 1998-03-25 EP disclosed
EP-0557131-A2 Polymer-supported catalysts ROHM AND HAAS COMPANY (US) 1993-08-25 EP disclosed