SCHEMBL8583889

SCHEMBL8583889

CCCC[Sn](C=CC(C)(C)c1ccc(F)cc1)(CCCC)CCCC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
GAA P10253 1/20 0.30
TRPA1 O75762 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
SCHEMBL8583888 1.00 HTR7 (0.33) HTR7HDAC3HDAC1HDAC2GAA
SCHEMBL8585469 0.84 SMN1; SMN2 (0.38) HDAC3HDAC1HDAC2
SCHEMBL8585468 0.84 SMN1; SMN2 (0.38) HDAC3HDAC1HDAC2
SCHEMBL1661860 0.73 NFE2L2 (0.42) HTR7TRPA1
SCHEMBL7773893 0.72
SCHEMBL7773897 0.72
SCHEMBL8584493 0.71 SMN1; SMN2 (0.37) HDAC3HDAC1HDAC2
SCHEMBL8880578 0.71 SMN1; SMN2 (0.37) HDAC3HDAC1HDAC2
SCHEMBL4245756 0.69
SCHEMBL4245758 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998020878-A1 5-[φ-(SUBSTITUTED ARYL)ALKENYLENE AND ALKYNYLENE]-2,4-DIAMINOPYRIMIDINES AS PESTICIDES FMC CORPORATION (US) 1998-05-22 WO disclosed
US-5696259-A 2,4-diamino-5-iodopyrimidines useful as pesticide intermediates FMC CORPORATION (US) 1997-12-09 US disclosed
US-5622954-A INSECTICIDE FMC CORPORATION (US) 1997-04-22 US disclosed