SCHEMBL5374593

SCHEMBL5374593

C=CCC.C=COC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 5/20 0.35
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28191437 0.88 ALDH1A1 (0.35) ALDH1A1HSD17B10LMNATSHRHPGD
Butane SCHEMBL722315 0.87 ALDH1A1 (0.38) ALDH1A1HSD17B10LMNATSHRHPGD
Alcohol SCHEMBL381890 0.87
SCHEMBL7529535 0.87 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNATSHRTDP1
SCHEMBL1438 0.87
Alcohol SCHEMBL1684991 0.85 ALDH1A1 (0.36) ALDH1A1HSD17B10LMNATSHRHPGD
Allyl Alcohol SCHEMBL14631934 0.85 TSHR (0.45) ALDH1A1HSD17B10LMNATSHRTDP1
SCHEMBL8982884 0.84
SCHEMBL25416150 0.84
SCHEMBL1919359 0.84

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-110049877-A Package for indicating heat seal condition 比密斯公司 2019-07-23 CN disclosed
CN-108137494-A Dialkyl sulfide, the manufacturing method of dialkyl sulfide, EP agent and lubricating fluid composition DIC株式会社 2018-06-08 CN disclosed
US-9833959-B2 Frame for an electrochemical energy-storage unit MAHLE INTERNATIONAL GMBH (DE) 2017-12-05 US disclosed
US-20130313754-A1 FRAME FOR AN ELECTROCHEMICAL ENERGY-STORAGE UNIT BEHR GMBH & CO. KG (DE) 2013-11-28 US disclosed
US-20070181176-A1 Bifacial elongated solar cell devices SOLYNDRA, INC. 2007-08-09 US disclosed