SCHEMBL28101727

SCHEMBL28101727

CCC1CO1.[CH2]CC1CO1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 2/20 0.31
CHRM3 P20309 2/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 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
Ethylene SCHEMBL28876758 0.85
SCHEMBL63327 0.85
SCHEMBL50501 0.85
SCHEMBL195268 0.85
SCHEMBL64078 0.85
SCHEMBL1067947 0.85 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2CHRM2CHRM3
SCHEMBL6028390 0.85
SCHEMBL12514606 0.82 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2CHRM2CHRM3
SCHEMBL28385044 0.82
SCHEMBL6577965 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029822-B Stabilized hydrochlorofluoroolefins and hydrofluoroolefins 阿科玛股份有限公司 2019-09-17 CN disclosed
CN-104685021-B The improved stability of polyurethane polyol blend comprising halogenated olefin blowing agents 阿科玛股份有限公司 2018-04-13 CN disclosed
CN-106750482-A The stability of the improvement of the polyurethane polyol blend comprising halogenated olefin blowing agents 阿科玛股份有限公司 2017-05-31 CN disclosed
CN-106029822-A Stabilized hydrochlorofluoroolefins and hydrofluoroolefins 阿科玛股份有限公司 2016-10-12 CN disclosed