SCHEMBL18737469

SCHEMBL18737469

CCSc1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2ccc(I)cn12

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TRPA1 O75762 1/20 0.33

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
SCHEMBL19712023 0.85 POLB (0.43) POLB
SCHEMBL19712032 0.85 POLB (0.44) POLBTRPA1
SCHEMBL19712024 0.84 POLB (0.45) POLBTRPA1
SCHEMBL18737468 0.84 POLB (0.38) POLBTRPA1
SCHEMBL21550142 0.83 POLB (0.41) POLBTRPA1
SCHEMBL19711993 0.83 POLB (0.42) POLB
SCHEMBL19711991 0.82 POLB (0.47) POLB
SCHEMBL20887341 0.81 POLB (0.43) POLB
SCHEMBL20887105 0.81 POLB (0.43) POLB
SCHEMBL19711935 0.81 POLB (0.37) POLBTRPA1

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
WO-2017061497-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME 日本農薬株式会社 2017-04-13 WO disclosed