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Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28758272

CC(C)(C)OC=O.CCOCCn1c(C2CCNCC2)nc2ccccc21

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 10/20 0.61
▸ KCNH2 Q12809 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.47
▸ CHRM1 P11229 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL991263 0.90 HRH1 (0.73) HRH1KCNH2KDM4ECHRM1PDE10A
Hydrochloric Acid SCHEMBL28374789 0.89 HRH1 (0.72) HRH1KCNH2KDM4ECHRM1PDE10A
Hydrochloric Acid SCHEMBL21815483 0.89 HRH1 (0.72) HRH1KCNH2KDM4ECHRM1PDE10A
SCHEMBL14198337 0.79 HRH1 (0.80) HRH1KCNH2KDM4ECHRM1PDE10A
SCHEMBL19770379 0.78 HRH1 (0.95) HRH1KCNH2
SCHEMBL992547 0.78 HRH1 (0.66) HRH1KCNH2KDM4ECHRM1PDE10A
SCHEMBL7501591 0.77 HRH1 (0.77) HRH1KCNH2KDM4ECHRM1PDE10A
SCHEMBL28758269 0.77 HRH1 (0.67) HRH1KCNH2KDM4ECHRM1PDE10A
SCHEMBL17898450 0.76 HRH1 (1.00) HRH1KCNH2CHRM1
SCHEMBL17895346 0.76 HRH1 (0.87) HRH1KCNH2

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-114591291-A Bilastine intermediate compound and preparation method thereof 鲁南制药集团股份有限公司 2022-06-07 — — CN disclosed
CN-114591292-A Bilastine intermediate compound 鲁南制药集团股份有限公司 2022-06-07 — — CN disclosed