SCHEMBL3909672

SCHEMBL3909672

CCCCC1(C(C2CCCCC2)C2CCCCC2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.38
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
EPHX1 P07099 1/20 0.30
CETP P11597 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
SCHEMBL1334250 0.77 SHBG (0.32) SHBGCYP1A2
SCHEMBL28095873 0.74 CETP (0.33) CETP
SCHEMBL12133385 0.73 CETP (0.34) CYP1A2CETP
SCHEMBL28131390 0.72 SLC6A4 (0.33) CETP
SCHEMBL15968636 0.71 EPHX1 (0.32) SHBGEPHX1
SCHEMBL12133356 0.71 CETP (0.32) CETP
SCHEMBL18317580 0.71 CETP (0.32) CETP
SCHEMBL28090216 0.70 CETP (0.31) CETP
SCHEMBL12134520 0.68 CETP (0.33) CETP
SCHEMBL12133384 0.68 CETP (0.35) CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027174-A1 BRANCHED POLYOLS HAVING A STATISTICAL AVERAGE OF TWO OR MORE HYDROXYL GROUPS IN THE MOLECULE, PROCESS FOR THEIR PREPARATION AND USE THEREOF BASF Coatings AG (DE) 2009-02-25 EP claimed
WO-2007131674-A1 BRANCHED POLYOLS HAVING A STATISTICAL AVERAGE OF TWO OR MORE HYDROXYL GROUPS IN THE MOLECULE, PROCESS FOR THEIR PREPARATION AND USE THEREOF BASF COATINGS AG (DE) 2007-11-22 WO claimed
EP-2027174-A1 BRANCHED POLYOLS HAVING A STATISTICAL AVERAGE OF TWO OR MORE HYDROXYL GROUPS IN THE MOLECULE, PROCESS FOR THEIR PREPARATION AND USE THEREOF BASF Coatings AG (DE) 2009-02-25 EP disclosed
WO-2007131674-A1 BRANCHED POLYOLS HAVING A STATISTICAL AVERAGE OF TWO OR MORE HYDROXYL GROUPS IN THE MOLECULE, PROCESS FOR THEIR PREPARATION AND USE THEREOF BASF COATINGS AG (DE) 2007-11-22 WO disclosed