SCHEMBL28874164

SCHEMBL28874164

C=C(C)C(=O)OCCCO[PH](=O)OCC[N+](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CHRM5 P08912 5/20 0.43
CHRM1 P11229 5/20 0.43
CHRM3 P20309 5/20 0.43
CHRM2 P08172 4/20 0.41
CHRM4 P08173 4/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA7 P36544 3/20 0.41
CHRNA4 P43681 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR1A P08908 2/20 0.41
PGR P06401 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
THRB P10828 1/20 0.40
APEX1 P27695 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6278177 0.91 THRB (0.46) TSHRCHRM5CHRM1CHRM3CHRM2
SCHEMBL9475470 0.89 TSHR (0.56) TSHRTHRBAPEX1POLBHTT
SCHEMBL21402156 0.85 TSHR (0.61) TSHRTHRBAPEX1POLBHTT
SCHEMBL14988989 0.84 TSHR (0.45) TSHRCHRM5CHRM1CHRM3CHRM2
SCHEMBL27984822 0.83 TSHR (0.54) TSHRTHRBAPEX1POLBHTT
SCHEMBL1260104 0.82 TSHR (0.47) TSHRCHRM5CHRM1CHRM3CHRM2
Water SCHEMBL4961524 0.82 CHRM5 (0.63) TSHRCHRM5CHRM1CHRM3CHRM2
SCHEMBL5673775 0.81 TSHR (0.50) TSHRCHRM5CHRM1CHRM3CHRM2
SCHEMBL1260812 0.81 TSHR (0.50) TSHRCHRM5CHRM1CHRM3CHRM2
SCHEMBL2022215 0.81 CHRM5 (0.41) TSHRCHRM5CHRM1CHRM3CHRM2

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-110051886-A The medical device and method that antithrombotic generates 柯惠有限合伙公司 2019-07-26 CN claimed
CN-105744965-B Antithrombotic medical devices and methods 柯惠有限合伙公司 2019-07-09 CN claimed
CN-110051886-A The medical device and method that antithrombotic generates 柯惠有限合伙公司 2019-07-26 CN disclosed
CN-105744965-B Antithrombotic medical devices and methods 柯惠有限合伙公司 2019-07-09 CN disclosed