SCHEMBL29169705

SCHEMBL29169705

F[B-](F)(F)F.N#[N+]Cc1ccc(CO)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
VHL P40337 1/20 0.33
ELOC Q15369 1/20 0.33
ELOB Q15370 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
LTA4H P09960 1/20 0.33
PTGS1 P23219 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL3295159 0.78 TAAR1 (0.37)
SCHEMBL7168345 0.78 TSHR (0.37) TSHRPRSS1PRSS2PRSS3VHL
SCHEMBL4933345 0.77 CALM1 (0.38) TSHRPRSS1PRSS2PRSS3HPGD
SCHEMBL29037444 0.76 ALDH1A1 (0.47) TSHRPTGS1CA12CA1CA2
SCHEMBL9672376 0.74 IDO1 (0.45) TSHRLTA4HCA12CA1CA2
SCHEMBL11444843 0.74 ALDH1A1 (0.48) TSHRCHKA
Fluoride SCHEMBL28282617 0.72 TSHR (0.62) TSHRPRSS1PRSS2PRSS3VHL
SCHEMBL2246496 0.71 LOXL2 (0.48) TSHR
SCHEMBL41775 0.69 TSHR (0.67) TSHRPRSS1PRSS2PRSS3VHL
SCHEMBL15233235 0.68

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-117480008-A Electro-grafted membranes for DNA synthesis 金斯瑞美国有限公司 2024-01-30 CN disclosed