SCHEMBL6847115

SCHEMBL6847115

CC(O)CC[N+](C)(C)C.CC(O)CC[N+](C)(C)C.CC(O)CC[N+](C)(C)C.CC(O)CC[N+](C)(C)C.[O-][Si]([O-])([O-])[O-]

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NFKB1 P19838 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ACHE P22303 1/20 0.30
APEX1 P27695 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
RAB9A P51151 1/20 0.30
PMP22 Q01453 1/20 0.30
SLC22A16 Q86VW1 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
SCHEMBL8049934 0.89
Water SCHEMBL1334084 0.86 TSHR (0.42) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL5029245 0.72 MEN1 (0.47) TSHRMEN1KMT2ALMNANFKB1
Hydrochloric Acid SCHEMBL10718209 0.71 TSHR (0.44) TSHRALDH1A1LMNATDP1
SCHEMBL35948 0.71
Hydrochloric Acid SCHEMBL3513109 0.70 APEX1 (0.50) TSHRMEN1KMT2ALMNACYP3A4
Water SCHEMBL3306334 0.69 TSHR (0.37) TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL35930 0.69 CYP3A4 (0.45) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL28227522 0.69
Bromide SCHEMBL28098240 0.69 MEN1 (0.45) TSHRALDH1A1MEN1KMT2ALMNA

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-20040220066-A1 Stripper ROHM AND HAAS ELECTRONIC MATERIALS, L.L.C. 2004-11-04 US claimed
US-20040220066-A1 Stripper ROHM AND HAAS ELECTRONIC MATERIALS, L.L.C. 2004-11-04 US disclosed