SCHEMBL7523726

SCHEMBL7523726

O=C=NCCCSCSCCN=C=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 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
SCHEMBL7524177 0.95 TRPA1 (0.33) TRPA1
SCHEMBL330749 0.91
SCHEMBL7534484 0.88 TRPA1 (0.32) TRPA1
SCHEMBL331679 0.85 TRPA1 (0.36) TRPA1
SCHEMBL28154696 0.84 TRPA1 (0.35) TRPA1
SCHEMBL7527591 0.82
SCHEMBL28170081 0.82 TRPA1 (0.38) TRPA1
SCHEMBL5082862 0.81 TRPA1 (0.35) TRPA1
SCHEMBL330812 0.78
SCHEMBL27523650 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713105-B1 Composition for optical materials and use thereof MITSUI CHEMICALS INC (JP) 2002-03-13 EP disclosed
US-5756766-A Composition for optical materials and use thereof MITSUI TOATSU CHEMICALS, INC. (JP) 1998-05-26 US disclosed
US-5652321-A Composition for optical materials and use thereof MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-29 US disclosed
EP-0713105-A2 Composition for optical materials and use thereof MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-05-22 EP disclosed