SCHEMBL13679155

SCHEMBL13679155

CC(C)(C1=NCCO1)C1=NC(I)CO1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.34

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
SCHEMBL22365606 1.00 KCNN4 (0.34) KCNN4
SCHEMBL23639231 0.86
SCHEMBL13679159 0.86
SCHEMBL19266731 0.81 KCNN4 (0.35) KCNN4
SCHEMBL15291801 0.81 KCNN4 (0.35) KCNN4
SCHEMBL17656073 0.80 KCNN4 (0.34) KCNN4
SCHEMBL719165 0.80 KCNN4 (0.47) KCNN4
SCHEMBL22838803 0.73 TAAR1 (0.45) KCNN4
SCHEMBL20458968 0.73 TAAR1 (0.45) KCNN4
SCHEMBL25741785 0.70 TAAR1 (0.49) KCNN4

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
EP-2098501-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE FLUORINE-CONTAINING CARBONYL-ENE PRODUCT Central Glass Company, Limited (JP) 2009-09-09 EP disclosed