SCHEMBL8219306

SCHEMBL8219306

FCCCCC1CCC(C2CCC(C3CCC(CCCCF)CC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
CYP1A2 P05177 1/20 0.32

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
SCHEMBL8216600 0.97 SIGMAR1 (0.43) SIGMAR1CYP1A2
SCHEMBL8217529 0.97 SIGMAR1 (0.43) SIGMAR1CYP1A2
SCHEMBL8216435 0.97 SIGMAR1 (0.43) SIGMAR1CYP1A2
SCHEMBL8220161 0.97 SIGMAR1 (0.43) SIGMAR1CYP1A2
SCHEMBL8219372 0.97 SIGMAR1 (0.43) SIGMAR1CYP1A2
SCHEMBL8215698 0.97 SIGMAR1 (0.43) SIGMAR1CYP1A2
SCHEMBL8216663 0.97 SIGMAR1 (0.43) SIGMAR1CYP1A2
SCHEMBL8218346 0.97 SIGMAR1 (0.43) SIGMAR1CYP1A2
SCHEMBL8217632 0.97 SIGMAR1 (0.43) SIGMAR1CYP1A2
SCHEMBL8215580 0.97 SIGMAR1 (0.38) SIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030545-A HAVING A REDUCED VISCOSITY, A WIDE LIQUID CRYSTAL TEMPERATURE RANGE (HIGH CLEARING POINT), A HIGH CHEMICAL STABILITY (EXTREMELY HIGH SPECIFIC RESISTANCE, HIGH VOLTAGE HOLDING RATIO) AND A HIGH SOLUBILITY WITH OTHER LIQUID-CRYSTAL CHISSO CORPORATION (JP) 2000-02-29 US disclosed