SCHEMBL17970392

SCHEMBL17970392

O=C=NCC1CCCC(CNC=O)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 1/20 0.52
▸ ADH1C P00326 1/20 0.52
▸ ADH1A P07327 1/20 0.52
▸ ADH4 P08319 1/20 0.52
▸ ADH7 P40394 1/20 0.52
▸ LMNA P02545 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
SCHEMBL15623965 0.84 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1069198 0.84 ALDH1A1 (0.31) —
SCHEMBL19751822 0.84 ALDH1A1 (0.31) —
SCHEMBL1069199 0.84 ALDH1A1 (0.31) —
SCHEMBL1081630 0.84 ALDH1A1 (0.31) —
SCHEMBL43488 0.84 ALDH1A1 (0.31) —
SCHEMBL20462167 0.84 ALDH1A1 (0.31) —
SCHEMBL13243254 0.82 ADH1B (0.74) ADH1BADH1CADH1AADH4ADH7
SCHEMBL560016 0.80 — —
SCHEMBL23005617 0.78 — —

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
EP-3051618-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME Mitsubishi Chemical Corporation (JP) 2016-08-03 — — EP disclosed
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