SCHEMBL29093374

SCHEMBL29093374

C(OCC1CO1)C1CO1.OC(CCCC1CO1)CC1CO1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.35

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
Glycerin SCHEMBL27784241 0.94 TSHR (0.38) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL28900508 0.86 TSHR (0.42) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL7935354 0.84 TSHR (0.47) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL674633 0.83 ALDH1A1 (0.43) ALDH1A1
Glycerin SCHEMBL28362615 0.83 TSHR (0.36) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL15425737 0.79 ALDH1A1 (0.44) TSHRALDH1A1TDP1
SCHEMBL8422370 0.79 TSHR (0.45) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL8422293 0.77 TSHR (0.44) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL819773 0.77 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL27893682 0.77 TSHR (0.61) TSHRALDH1A1SMN1; SMN2TDP1MAPK1

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-116876205-A Fluorine-containing self-healing super-hydrophilic super-oleophobic fabric and preparation method thereof 嘉兴学院 2023-10-13 CN claimed
CN-117946612-A Packaging material composition, packaging structure and display device 杭州福斯特应用材料股份有限公司 2024-04-30 CN disclosed
CN-116876205-A Fluorine-containing self-healing super-hydrophilic super-oleophobic fabric and preparation method thereof 嘉兴学院 2023-10-13 CN disclosed