SCHEMBL29548017

SCHEMBL29548017

C=CC(=O)OC(C)OCC(C)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 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
SCHEMBL631070 0.86 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
Fluoromethane SCHEMBL27647605 0.83 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1110873 0.83 TSHR (0.46) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL11782282 0.83 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25475957 0.82 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3902375 0.82 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29148299 0.80 TSHR (0.43) TSHRHPGDMAPTTDP1
SCHEMBL9555237 0.80 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL147629 0.80 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10877718 0.80 TSHR (0.54) TSHRHPGDMAPTALDH1A1TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119700553-A Dental adhesive resin-reinforced glass ionomer water heater composition having excellent adhesion and residual water heater removability 株式会社松风 2025-03-28 CN disclosed
CN-117597099-A Curable composition for dental use 可乐丽则武齿科株式会社 2024-02-23 CN disclosed
CN-112752776-B Resin composition for photofabrication 可乐丽则武齿科株式会社 2024-02-09 CN disclosed
US-11453785-B2 Method for producing surface-treated colored inorganic particles KURARAY NORITAKE DENTAL INC. (JP) 2022-09-27 US disclosed
EP-3360532-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2022-04-27 EP disclosed