SCHEMBL11375829

SCHEMBL11375829

C[C@@H](CBr)COC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50

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
SCHEMBL11375827 1.00 MAPK1 (0.50) MAPK1
SCHEMBL12858723 0.83 MAPK1 (0.60) MAPK1
SCHEMBL18974066 0.80 MAPK1 (0.46) MAPK1
SCHEMBL12285564 0.76 MAPK1 (0.52) MAPK1
SCHEMBL14901100 0.76 MAPK1 (0.52) MAPK1
SCHEMBL14901099 0.76 MAPK1 (0.52) MAPK1
SCHEMBL4181754 0.74 MAPK1 (0.56) MAPK1
SCHEMBL4189322 0.74 MAPK1 (0.56) MAPK1
SCHEMBL14901114 0.74 MAPK1 (0.50) MAPK1
SCHEMBL5427806 0.74 MAPK1 (0.50) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4277610-A Synthesis of 2,6,10-trimethyl-undecan-1-ol HOFFMANN-LA ROCHE INC. (US) 1981-07-07 US disclosed
US-4180682-A Unsaturated alcohols having an ether protected group HOFFMANN-LA ROCHE INC. (US) 1979-12-25 US disclosed
US-4172958-A Ethers of 2,6,10-trimethyl-undecan-1-ols HOFFMANN-LA ROCHE INC. (US) 1979-10-30 US disclosed
US-4169209-A Ethers of 2,6-dimethyl-octane-1,8-diols HOFFMANN-LA ROCHE INC. (US) 1979-09-25 US disclosed
US-4163021-A Synthesis of 2,6,10-trimethyl-undecan-1-ol HOFFMANN-LA ROCHE INC. (US) 1979-07-31 US disclosed
US-4140723-A Intermediate compounds for producing vitamin E HOFFMANN-LA ROCHE INC. (US) 1979-02-20 US disclosed
US-4140702-A Process for producing vitamin E intermediate compounds HOFFMANN-LA ROCHE INC. (US) 1979-02-20 US disclosed
US-4111961-A Silicon ester of carboxylic acid HOFFMANN-LA ROCHE INC. (US) 1978-09-05 US disclosed
US-4107183-A Synthesis of optically active carboxylic acid esters HOFFMANN-LA ROCHE INC. (US) 1978-08-15 US disclosed
US-4041058-A Synthesis of 2,6,10-trimethyl-undecan-1-ol HOFFMANN-LA ROCHE INC. (US) 1977-08-09 US disclosed