SCHEMBL11042011

SCHEMBL11042011

CC(C=O)C(C)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL27539751 0.75 TDP1 (0.31) TDP1
SCHEMBL2095164 0.72
SCHEMBL16724476 0.69
SCHEMBL12704050 0.69
SCHEMBL11040457 0.69
SCHEMBL11035960 0.68 TDP1 (0.33) TDP1
SCHEMBL12013699 0.67
SCHEMBL2736104 0.67
SCHEMBL13409630 0.67
SCHEMBL28735214 0.67

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024532-B2 TERT. BUTOXYBUTANALES AND BUTANOLES AND BIS-TERT. BUTOXY-PENTANALES AND PENTANOLES, THEIR PRODUCTION AND THEIR USE AS PERFUMES BASF Aktiengesellschaft (DE) 1984-08-15 EP claimed
US-4409402-A FRAGRANCES; CHEMICAL INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 1983-10-11 US claimed
EP-0024532-B1 TERT. BUTOXYBUTANALES AND BUTANOLES AND BIS-TERT. BUTOXY-PENTANALES AND PENTANOLES, THEIR PRODUCTION AND THEIR USE AS PERFUMES BASF Aktiengesellschaft (DE) 1982-06-23 EP claimed
EP-0024532-A1 Tert. butoxybutanales and butanoles and bis-tert. butoxy-pentanales and pentanoles, their production and their use as perfumes BASF Aktiengesellschaft (DE) 1981-03-11 EP claimed
EP-0024532-B2 TERT. BUTOXYBUTANALES AND BUTANOLES AND BIS-TERT. BUTOXY-PENTANALES AND PENTANOLES, THEIR PRODUCTION AND THEIR USE AS PERFUMES BASF Aktiengesellschaft (DE) 1984-08-15 EP disclosed
US-4418216-A Bis-tert.-butoxypentanals and bis-tert.-butoxypentanols BASF AKTIENGESELLSCHAFT (DE) 1983-11-29 US disclosed
US-4409402-A FRAGRANCES; CHEMICAL INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 1983-10-11 US disclosed
EP-0024532-B1 TERT. BUTOXYBUTANALES AND BUTANOLES AND BIS-TERT. BUTOXY-PENTANALES AND PENTANOLES, THEIR PRODUCTION AND THEIR USE AS PERFUMES BASF Aktiengesellschaft (DE) 1982-06-23 EP disclosed
EP-0024532-A1 Tert. butoxybutanales and butanoles and bis-tert. butoxy-pentanales and pentanoles, their production and their use as perfumes BASF Aktiengesellschaft (DE) 1981-03-11 EP disclosed