SCHEMBL9999642

SCHEMBL9999642

O=C(O)C12CCC(S)(CC1)C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.33
FFAR3 O14843 1/20 0.32
CYP2C19 P33261 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
SCHEMBL9999641 0.83 FFAR3 (0.35) GRM1FFAR3CYP2C19
SCHEMBL478303 0.80 GRM1 (0.40) GRM1FFAR3CYP2C19
SCHEMBL10015844 0.75 PKM (0.34) GRM1CYP2C19
SCHEMBL16933182 0.74 GRM1 (0.40) GRM1FFAR3CYP2C19
SCHEMBL893183 0.73 FFAR3 (0.44) GRM1FFAR3CYP2C19
SCHEMBL10151921 0.72 GRM1 (0.36) GRM1FFAR3CYP2C19
SCHEMBL21954700 0.72
SCHEMBL20294175 0.70 GRM1 (0.34) GRM1FFAR3
SCHEMBL13089716 0.70 GRM1 (0.34) GRM1FFAR3
SCHEMBL893472 0.69 GRM1 (0.37) GRM1FFAR3CYP2C19

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
US-8106388-B2 Quantum dot solar cell with rigid bridge molecule HONEYWELL INTERNATIONAL INC. (US) 2012-01-31 US disclosed
US-8106388-B2 Quantum dot solar cell with rigid bridge molecule HONEYWELL INTERNATIONAL INC. (US) 2012-01-31 US disclosed
US-20090159131-A1 QUANTUM DOT SOLAR CELL WITH RIGID BRIDGE MOLECULE HONEYWELL INTERNATIONAL INC. (US) 2009-06-25 US disclosed
US-20090159131-A1 QUANTUM DOT SOLAR CELL WITH RIGID BRIDGE MOLECULE HONEYWELL INTERNATIONAL INC. (US) 2009-06-25 US disclosed