Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28832508

CC(C)(C)OC=O.CCNC(=O)N1CCCCC1

nearest known ligand 0.53

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 1/20 0.39
CTSK P43235 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM1 P11229 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.37
LMNA P02545 1/20 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
SCHEMBL4803949 0.82 KMT2A (0.78) KMT2AHTTTDP1NPC1RAB9A
SCHEMBL966438 0.82 KMT2A (0.78) KMT2AHTTTDP1NPC1RAB9A
SCHEMBL17273858 0.82 KMT2A (0.78) KMT2AHTTTDP1NPC1RAB9A
Tert-Butyl Formate SCHEMBL28254534 0.81 TDP1 (0.42) KMT2AHTTTDP1NPC1RAB9A
SCHEMBL965286 0.80 KMT2A (0.82) KMT2AHTTNPC1RAB9APOLB
Tert-Butyl Formate SCHEMBL27772377 0.77 TDP1 (0.48) KMT2AHTTTDP1NPC1RAB9A
Tert-Butyl Formate SCHEMBL28129605 0.77 TDP1 (0.41) KMT2AHTTTDP1NPC1RAB9A
SCHEMBL19741751 0.76
Tert-Butyl Formate SCHEMBL27621319 0.72 TDP1 (0.50) KMT2ATDP1POLBSMN1; SMN2
SCHEMBL12846763 0.71 KMT2A (0.66) KMT2AHTTSMN1; SMN2MEN1KDM4E

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
CN-105828610-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2019-07-19 CN disclosed
CN-105828610-A Pesticidal compositions and methods related thereto 美国陶氏益农公司 2016-08-03 CN disclosed