SCHEMBL28405277

SCHEMBL28405277

C=CCC(C)(C)C=CCCC

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 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
SCHEMBL11188233 0.80
SCHEMBL10340489 0.77 TSHR (0.40) TSHRALDH1A1
SCHEMBL28758067 0.77 TSHR (0.36) TSHRALDH1A1
SCHEMBL8960657 0.74 TSHR (0.36) TSHR
SCHEMBL8960654 0.74 TSHR (0.36) TSHR
SCHEMBL10785978 0.74 TSHR (0.37) TSHRALDH1A1
SCHEMBL10785970 0.74 TSHR (0.37) TSHRALDH1A1
SCHEMBL6415715 0.72
SCHEMBL7053835 0.71 TSHR (0.38) TSHR
SCHEMBL11039986 0.71 TSHR (0.39) TSHRALDH1A1

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-111133086-A Compositions comprising odorants 丝趣科尔卡有限公司 2020-05-08 CN disclosed
CN-107312233-B Polyethylene composition, expanded beads, process for producing the same, and expanded bead molded body 中国石油化工股份有限公司 2019-12-20 CN disclosed