SCHEMBL28999874

SCHEMBL28999874

C=C(C)C(=O)OCCCCOS(=O)(=O)CCCCC.[NaH]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.66
▸ THRB P10828 1/20 0.42
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA1 P00915 9/20 0.39
▸ CA2 P00918 9/20 0.39
▸ CA9 Q16790 8/20 0.39
▸ CA12 O43570 3/20 0.38
▸ CA7 P43166 3/20 0.38
▸ CA14 Q9ULX7 3/20 0.38
▸ CA3 P07451 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA6 P23280 2/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA5B Q9Y2D0 2/20 0.38
▸ NAAA Q02083 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ RECQL P46063 2/20 0.37

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
SCHEMBL28999876 0.97 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28192295 0.96 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28999875 0.95 TSHR (0.63) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28192347 0.94 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28304581 0.93 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29263434 0.91 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL28550540 0.88 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28999873 0.88 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28192946 0.88 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27497938 0.86 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115886022-A Cis-cypermethrin and acetamiprid insecticidal composition and preparation method and application thereof 上海悦联生物科技有限公司 2023-04-04 — — CN disclosed
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