SCHEMBL5850860

SCHEMBL5850860

Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1C(OP(=O)(OC(c1c(C)cc(C(C)(C)C)cc1C(C)(C)C)c1c(C)cc(C(C)(C)C)cc1C(C)(C)C)OC(c1c(C)cc(C(C)(C)C)cc1C(C)(C)C)c1c(C)cc(C(C)(C)C)cc1C(C)(C)C)c1c(C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.36
POLB P06746 1/20 0.33
HTR1D P28221 1/20 0.30

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
SCHEMBL5850864 0.87 HMGCR (0.34) HMGCRPOLB
SCHEMBL789567 0.76 HMGCR (0.36) HMGCRPOLB
SCHEMBL76615 0.76 POLB (0.35) POLBHTR1D
SCHEMBL39337 0.73 CYP1A2 (0.34) POLBHTR1D
SCHEMBL29421158 0.73 CYP1A2 (0.34) POLBHTR1D
SCHEMBL9879682 0.72 POLB (0.41) POLBHTR1D
SCHEMBL31414417 0.71 ALDH1A1 (0.35) HMGCRPOLBHTR1D
SCHEMBL603636 0.71 ALDH1A1 (0.36) HMGCR
SCHEMBL246694 0.71 POLB (0.40) POLBHTR1D
SCHEMBL7941412 0.71 POLB (0.40) POLBHTR1D

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-20060219979-A1 Method of increasing the oxidation stability of biodiesel DEGUSSA AG (DE) 2006-10-05 US claimed
US-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed