SCHEMBL28340607

SCHEMBL28340607

CCC(CO)CC(CC)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL16095161 0.85 TRPA1 (0.39) TRPA1ALDH1A1LMNATSHRTDP1
SCHEMBL4891751 0.81 TSHR (0.41) TSHR
SCHEMBL4890349 0.79 ALDH1A1 (0.39) ALDH1A1LMNATDP1
SCHEMBL4610776 0.78 TRPA1 (0.44) TRPA1ALDH1A1LMNATSHRTDP1
SCHEMBL27414879 0.77
SCHEMBL10786182 0.77 TRPA1 (0.47) TRPA1ALDH1A1LMNATSHRTDP1
SCHEMBL561501 0.76
SCHEMBL765771 0.76
SCHEMBL246160 0.76 ALDH1A1 (0.52) TRPA1ALDH1A1LMNATSHRTDP1
SCHEMBL4885080 0.76 ALDH1A1 (0.56) TRPA1ALDH1A1LMNATSHRTDP1

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-119546703-A Emulsion 株式会社可乐丽 2025-02-28 CN disclosed
CN-113286856-A Active energy ray-curable ink composition and method for producing printed matter using same 阪田油墨株式会社 2021-08-20 CN disclosed
CN-112384576-A Active energy ray-curable ink composition for offset printing, and method for producing printed matter using same 阪田油墨株式会社 2021-02-19 CN disclosed
CN-111793197-A Aqueous hydroxyl-containing polyester dispersion for automobile paint and preparation method thereof 上海金力泰化工股份有限公司 2020-10-20 CN disclosed
CN-110615890-A Polycarbonate diols and polyurethanes formed therefrom 财团法人工业技术研究院 2019-12-27 CN disclosed