SCHEMBL8970903

SCHEMBL8970903

[CH]=C(C)C(=O)OCCOC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
THRB P10828 1/20 0.38
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30
RAB9A P51151 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
SCHEMBL27859554 0.82 TSHR (0.48) TSHRTHRBALDH1A1KDM4ELMNA
SCHEMBL3012356 0.80 TSHR (0.43) TSHRTHRBALDH1A1KDM4ELMNA
SCHEMBL4675894 0.80 TSHR (0.43) TSHRTHRBALDH1A1KDM4ELMNA
Ammonia Solution, Strong SCHEMBL27753009 0.78 TSHR (0.42) TSHRTHRBALDH1A1KDM4ELMNA
SCHEMBL8185907 0.78
SCHEMBL8188882 0.78
SCHEMBL8970752 0.76
SCHEMBL27357 0.76 THRB (0.63) TSHRTHRBALDH1A1KDM4ELMNA
SCHEMBL860176 0.76 TSHR (0.41) TSHRTHRBALDH1A1KDM4ELMNA
SCHEMBL21796075 0.76 TSHR (0.41) TSHRTHRBALDH1A1KDM4ELMNA

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
US-5521145-A Iminothiazoline derivatives and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1996-05-28 US disclosed
EP-0683160-A1 Iminothiazoline derivatives and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-22 EP disclosed