SCHEMBL7933368

SCHEMBL7933368

CNCCCC(C)(C)CNC

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL6280323 0.92 EPHX1 (0.40) EPHX1SIGMAR1
SCHEMBL19604275 0.84 PAOX (0.31) EPHX1
SCHEMBL171430 0.80
SCHEMBL22386285 0.80
SCHEMBL7912110 0.79 EPHX1 (0.36) EPHX1
SCHEMBL18685898 0.79 EPHX1 (0.42) EPHX1SIGMAR1
SCHEMBL22737322 0.78 EPHX1 (0.43) EPHX1
SCHEMBL14018455 0.77 EPHX1 (0.52) EPHX1SIGMAR1
SCHEMBL27336269 0.77 SMN1; SMN2 (0.33)
SCHEMBL16705253 0.77 EPHX1 (0.46) EPHX1SIGMAR1

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
US-6242651-B1 IN A HIGH YIELD BY REACTING DIHALOALKANE WITH ALKYLAMINE WHILE INHIBITING FORMATION OF UNFAVORABLE BY-PRODUCTS SUCH AS CYCLIC DIALKYLDIAMINE AND TRIALKYLALKANETRIAMINE MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed