SCHEMBL29964875

SCHEMBL29964875

CCCCC(CC)C(C)OCC(C)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 3/20 0.33
ATM Q13315 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 2/20 0.31
SPHK1 Q9NYA1 1/20 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
SCHEMBL622449 0.80 TDP1 (0.42) TDP1HSD17B10MAPTALDH1A1CYP3A4
Propylene Glycol SCHEMBL22499608 0.77 ALDH1A1 (0.42) TDP1MAPTTSHRALDH1A1CYP3A4
SCHEMBL15049102 0.76 TDP1 (0.42) TDP1HSD17B10MAPTTSHRALDH1A1
SCHEMBL432085 0.76 TDP1 (0.39) TDP1HSD17B10MAPTCA2CA1
SCHEMBL4326586 0.76 TDP1 (0.39) TDP1HSD17B10MAPTLMNA
SCHEMBL7941774 0.75 TDP1 (0.55) TDP1HSD17B10MAPTTSHRALDH1A1
SCHEMBL9774478 0.74 ALDH1A1 (0.36) TDP1TSHRALDH1A1CYP3A4ATM
SCHEMBL620027 0.74 TDP1 (0.50) TDP1HSD17B10MAPTCYP3A4LMNA
SCHEMBL4317192 0.74 TDP1 (0.46) TDP1HSD17B10MAPTL3MBTL1SPHK1
SCHEMBL4188557 0.74 TDP1 (0.48) TDP1HSD17B10MAPTTSHRALDH1A1

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
WO-2024004898-A1 NON-AQUEOUS INK COMPOSITION, INK SET, RECORDING METHOD, METHOD FOR PRODUCING RECORDED MATERIAL, RECORDED MATERIAL, AND INKJET RECORDING APPARATUS 株式会社DNPファインケミカル 2024-01-04 WO disclosed
WO-2022259742-A1 NONAQUEOUS INK COMPOSITION, INK SET, RECORDED MATTER, RECORDING METHOD, AND METHOD FOR PRODUCING RECORDED MATTER 株式会社DNPファインケミカル 2022-12-15 WO disclosed
WO-2022211030-A1 NONAQUEOUS INK COMPOSITION, INK SET, RECORDING METHOD USING SAME, METHOD FOR PRODUCING RECORDED MATTER, RECORDED MATTER, AND INKJET RECORDING DEVICE 株式会社DNPファインケミカル 2022-10-06 WO disclosed