SCHEMBL5227195

SCHEMBL5227195

CC(C)CCCc1c(C(F)(F)F)nc2ncnn2c1N

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 20/20 0.49

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
SCHEMBL5228809 0.85 MBOAT4 (0.50) MBOAT4
SCHEMBL5228485 0.84 MBOAT4 (0.50) MBOAT4
SCHEMBL5225182 0.84 MBOAT4 (0.50) MBOAT4
SCHEMBL304348 0.84 MBOAT4 (0.50) MBOAT4
SCHEMBL302661 0.82 MBOAT4 (0.44) MBOAT4
SCHEMBL3002411 0.80 MBOAT4 (0.53) MBOAT4
SCHEMBL17646445 0.75 MBOAT4 (0.44) MBOAT4
SCHEMBL5228518 0.75 MBOAT4 (0.44) MBOAT4
SCHEMBL5225541 0.75 MBOAT4 (0.41) MBOAT4
SCHEMBL5229255 0.74 MBOAT4 (0.42) MBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307172-B2 7-amino triazolopyrimidines for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2007-12-11 US claimed
EP-1414302-B1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2007-03-21 EP claimed