SCHEMBL19992974

SCHEMBL19992974

C=C(C)C(=O)OC[N+](C)(C)CCCC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.42
DNM1 Q05193 3/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Bromide SCHEMBL27827598 0.98 TSHR (0.51) TSHRTHRBDNM1ALDH1A1HTT
Iodide SCHEMBL27848845 0.98 TSHR (0.51) TSHRTHRBDNM1ALDH1A1HTT
Hydrochloric Acid SCHEMBL27806996 0.98 TSHR (0.56) TSHRTHRBDNM1ALDH1A1HTT
Fluoride Ion SCHEMBL27848852 0.98 TSHR (0.51) TSHRTHRBDNM1ALDH1A1HTT
Iodide SCHEMBL27807078 0.95 TSHR (0.49) TSHRTHRBDNM1ALDH1A1HTT
Hydrochloric Acid SCHEMBL29257672 0.93 TSHR (0.59) TSHRTHRBDNM1HTT
SCHEMBL6279632 0.93 TSHR (0.59) TSHRTHRBDNM1HTTLMNA
Hydrochloric Acid SCHEMBL29257671 0.92 TSHR (0.62) TSHRTHRBDNM1HTT
Hydrochloric Acid SCHEMBL28067877 0.92 TSHR (0.62) TSHRTHRBDNM1HTT
Bromide SCHEMBL28079798 0.92 TSHR (0.57) TSHRDNM1HTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018049508-A1 ANTIMICROBIAL COMPOUNDS OR PRECURSORS THEREOF COMRPISING ONE OR MORE CATIONIC CENTERS AND A COATING-INCORPORATION GROUP EXIGENCE TECHNOLOGIES INC. (CA) 2018-03-22 WO disclosed
CN-102066486-B Gel composition, method for preparing the same, and impact-resistant absorbing material using the same 3M INNOVATIVE PROPERTIES CO 2013-08-14 CN disclosed
CN-102066486-A Gel composition, method for preparing the same, and impact-resistant absorbing material using the same 3M INNOVATIVE PROPERTIES CO 2011-05-18 CN disclosed