SCHEMBL30100531

SCHEMBL30100531

C1CCC(NC2CCCCC2)CC1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 3/20 0.33
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH4 P08319 1/20 0.33
MAPK1 P28482 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CXCR3 P49682 1/20 0.33
RAB9A P51151 1/20 0.31
EPHX2 P34913 2/20 0.30
LMNA P02545 1/20 0.30
ADH7 P40394 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
Biphenyl SCHEMBL2694111 0.77 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1
Cyclohexylamine SCHEMBL25171882 0.76 TSHR (0.31) TSHRMAPK1
SCHEMBL217472 0.74
SCHEMBL5498715 0.74
SCHEMBL20815432 0.73 ALDH1A1 (0.75) ALDH1A1HSD17B10NPC1SMN1; SMN2ADH1B
SCHEMBL24839013 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10NPC1SMN1; SMN2ADH1B
SCHEMBL21375316 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10NPC1SMN1; SMN2ADH1B
SCHEMBL24771539 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10NPC1SMN1; SMN2ADH1B
SCHEMBL20733078 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10NPC1SMN1; SMN2ADH1B
SCHEMBL24771540 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10NPC1SMN1; SMN2ADH1B

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-117510688-B Polyethylene having high pressure resistance and crosslinked polyethylene pipe comprising the same LG CHEM, LTD. (KR) 2026-05-26 CN disclosed
CN-117510688-A Polyethylene having high pressure resistance and crosslinked polyethylene pipe comprising the same 株式会社LG化学 2024-02-06 CN disclosed
CN-113366033-B Polyethylene having high crosslinking degree and crosslinked polyethylene pipe comprising the same 株式会社LG化学 2023-06-30 CN disclosed
CN-113348321-B Crosslinked polyethylene pipe having excellent physical properties 株式会社LG化学 2022-12-06 CN disclosed