SCHEMBL6551691

SCHEMBL6551691

CC(C)(C)C(C)(CC(=O)OO)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 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
SCHEMBL29665072 0.79 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL122716 0.78
SCHEMBL15693103 0.77 DGKA (0.37) CHRM1TBXA2RADRA1A
SCHEMBL6866745 0.75 GAA (0.50)
SCHEMBL3019982 0.75 TSHR (0.31)
SCHEMBL19469708 0.74 TSHR (0.40) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10953540 0.73 TSHR (0.36) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10953544 0.73
SCHEMBL11611742 0.72
SCHEMBL544329 0.72 TSHR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192816-A1 Product in subdivided form for preparing crosslinkable elastomeric compositions PIRELLI PNEUMATICI S.P.A. (IT) 2004-09-30 US disclosed
EP-1385905-A1 PRODUCT IN SUBDIVIDED FORM FOR PREPARING CROSSLINKABLE ELASTOMERIC COMPOSITIONS PIRELLI PNEUMATICI S.p.A. (IT) 2004-02-04 EP disclosed
WO-2002083783-A1 PRODUCT IN SUBDIVIDED FORM FOR PREPARING CROSSLINKABLE ELASTOMERIC COMPOSITIONS PIRELLI PNEUMATICI S.P.A. (IT) 2002-10-24 WO disclosed