SCHEMBL29187652

SCHEMBL29187652

CCCC=C1CCC(=CCCC)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 2/20 0.32

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
SCHEMBL1792180 1.00
SCHEMBL102512 0.88
SCHEMBL16908443 0.87 TSHR (0.43) TSHRALDH1A1
SCHEMBL7666992 0.87 TRPA1 (0.34) ALDH1A1TRPA1
SCHEMBL104446 0.86 DPP7 (0.39)
SCHEMBL11303483 0.86 DPP7 (0.39)
SCHEMBL11299622 0.86 DPP7 (0.39)
SCHEMBL40358 0.82
SCHEMBL1630716 0.82 HTR2C (0.31)
SCHEMBL13901139 0.82 CHRM2 (0.33) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120574-A Aqueous emulsion, use thereof and method for producing same 大金工业株式会社 2023-11-24 CN disclosed
CN-113329856-B Release agent 大金工业株式会社 2023-06-09 CN disclosed