Tert-Butanol

Tert-Butanol

SCHEMBL8091978

C=CCC.C=CCC.CC(C)(C)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 2/20 0.31

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
Methyl Alcohol SCHEMBL998584 0.81
SCHEMBL4901795 0.80 TSHR (0.50) TSHRALDH1A1ALOX15
SCHEMBL5606390 0.80
SCHEMBL2430668 0.80 TSHR (0.50) TSHRALDH1A1ALOX15
SCHEMBL3814841 0.80
SCHEMBL10862 0.80
SCHEMBL4950820 0.80 TSHR (0.50) TSHRALDH1A1ALOX15
Tert-Butanol SCHEMBL27700314 0.79
Tert-Butanol SCHEMBL28470777 0.77
SCHEMBL9245377 0.77

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
EP-0820974-B1 Process for the preparation of alkyl tert-butyl ethers and di-n-butene from field butanes DEGUSSA (DE) 2000-12-20 EP disclosed
EP-0820974-A1 Process for the preparation of alkyl tert-butyl ethers and di-n-butene from field butanes HÜLS AKTIENGESELLSCHAFT (DE) 1998-01-28 EP disclosed