SCHEMBL19105367

SCHEMBL19105367

C#CCOC(=O)C(CCC#N)C(=O)OCC#C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
SLC1A2 P43004 2/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A1 P43005 1/20 0.31
TSHR P16473 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
SCHEMBL19116992 0.93 SLC1A2 (0.40) NPC1SLC1A2SLC1A3SLC1A1TSHR
SCHEMBL19117241 0.86 SLC1A2 (0.37) SLC1A2MEN1KMT2ASLC1A3SLC1A1
SCHEMBL19105359 0.83 MEN1 (0.36) SLC1A2MEN1KMT2A
SCHEMBL10012215 0.81 TSHR (0.36) NPC1SLC1A2MEN1KMT2ATSHR
SCHEMBL19105372 0.78 SLC1A2 (0.35) SLC1A2MEN1KMT2ATSHR
SCHEMBL19105357 0.78 MMP1 (0.33) SLC1A2MEN1KMT2ATSHR
SCHEMBL19117214 0.78 SLC1A2 (0.37) SLC1A2MEN1KMT2ATSHR
SCHEMBL10011988 0.77 NPC1 (0.33) NPC1MEN1KMT2ATSHR
SCHEMBL7055826 0.76 MEN1 (0.48) SLC1A2MEN1KMT2ATSHR
SCHEMBL19116989 0.76 SLC1A2 (0.36) SLC1A2MEN1KMT2ATSHR

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
US-10424812-B2 Non-aqueous electrolytic solution and non-aqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-09-24 US disclosed
US-20170200976-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-13 US disclosed
US-20170200976-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-13 US disclosed