SCHEMBL21117809

SCHEMBL21117809

CCOC(=O)C(C)(C)SC(=S)N(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
PHGDH O43175 1/20 0.47
MGLL Q99685 1/20 0.47
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
PIN1 Q13526 1/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.40
MMP8 P22894 1/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL18113106 0.78 CYP4F2 (0.35) FAAHMGLLKMT2AMEN1NPSR1
SCHEMBL164403 0.77 POLB (0.49) KMT2AMEN1PIN1RAB9ANPSR1
SCHEMBL21118112 0.75 FAAH (0.50) FAAHPHGDHMGLLKMT2AMEN1
SCHEMBL18113217 0.75 MMP8 (0.51) KMT2AMEN1PIN1NPSR1ALDH1A1
SCHEMBL18113210 0.74 PIN1 (0.45) KMT2AMEN1PIN1RAB9ANPSR1
SCHEMBL4298143 0.74 POLB (0.51) KMT2AMEN1PIN1RAB9ANPSR1
SCHEMBL12892656 0.73 ALDH1A1 (0.41) PHGDHMGLLKMT2ARAB9ANPSR1
SCHEMBL27045710 0.73 MGLL (0.54) FAAHPHGDHMGLLKMT2AMEN1
SCHEMBL5253502 0.72 ALDH1A1 (0.41) KMT2AMEN1PIN1ALDH1A1RECQL
SCHEMBL18113275 0.71 ALDH1A1 (0.50) KMT2AMEN1PIN1NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11575156-B2 Diselenoester electrolyte additives for fast charging lithium ion batteries StoreDot Ltd. (IL) 2023-02-07 US disclosed
US-11205796-B2 Electrolyte additives in lithium-ion batteries StoreDot Ltd. (IL) 2021-12-21 US disclosed
US-20210242500-A1 ELECTROLYTES FOR FAST CHARGING LITHIUM ION BATTERIES HAVING FOUR-CARBON CHAIN ESTERS AS LINEAR COMPONENTS StoreDot Ltd. (IL) 2021-08-05 US disclosed
US-20210242497-A1 DISELENOESTER ELECTROLYTE ADDITIVES FOR FAST CHARGING LITHIUM ION BATTERIES StoreDot Ltd. (IL) 2021-08-05 US disclosed
US-20210234197-A1 ELECTROLYTE ADDITIVES FOR FAST CHARGING LITHIUM ION BATTERIES StoreDot Ltd. (IL) 2021-07-29 US disclosed
US-20190356013-A1 ELECTROLYTE ADDITIVES IN LITHIUM-ION BATTERIES StoreDot Ltd. (IL) 2019-11-21 US disclosed
US-20190198912-A1 ELECTROLYTE ADDITIVES IN LITHIUM-ION BATTERIES StoreDot Ltd. (IL) 2019-06-27 US disclosed