SCHEMBL22028677

SCHEMBL22028677

CC(C)(C)c1ccccc1[N+]#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CA2 P00918 1/20 0.41
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KIF11 P52732 1/20 0.34
RBP4 P02753 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ATM Q13315 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
SCHEMBL5573854 0.92 ALDH1A1 (0.39) TDP1ALDH1A1TSHRCA2GABRA1
SCHEMBL22028669 0.80 CA2 (0.41) TDP1ALDH1A1TSHRCA2GABRA1
SCHEMBL261312 0.76 ALDH1A1 (0.39) TDP1ALDH1A1TSHRKIF11
SCHEMBL29956247 0.76 TDP1 (0.44) TDP1ALDH1A1TSHRCA2GABRA1
SCHEMBL420138 0.76 TDP1 (0.44) TDP1ALDH1A1TSHRCA2GABRA1
Hydrochloric Acid SCHEMBL9659775 0.74 ALDH1A1 (0.42) TDP1ALDH1A1TSHRKIF11GRIN2D
Fluoride Ion SCHEMBL11774111 0.74 ALDH1A1 (0.38) TDP1ALDH1A1TSHRKIF11
Hydrochloric Acid SCHEMBL18936435 0.74 ALDH1A1 (0.38) TDP1ALDH1A1TSHRKIF11
SCHEMBL5551583 0.73 CYP2A6 (0.31)
SCHEMBL29355273 0.73 ALDH1A1 (0.63) TDP1ALDH1A1TSHRCA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113196536-B Use of solid electrolyte phase interface (SEI) on the anode of fluoride ion/shuttle batteries 本田技研工业株式会社 2025-02-11 CN disclosed
US-11621438-B2 Solid electrolyte interphase (SEI) application on anode of fluoride ion/shuttle batteries HONDA MOTOR CO., LTD. (JP) 2023-04-04 US disclosed
CN-113196536-A Use of Solid Electrolyte Interphase (SEI) on anode of fluoride/shuttle battery 本田技研工业株式会社 2021-07-30 CN disclosed
WO-2020118108-A1 SOLID ELECTROLYTE INTERPHASE (SEI) APPLICATION ON ANODE OF FLUORIDE ION/SHUTTLE BATTERIES HONDA MOTOR CO., LTD. (JP) 2020-06-11 WO disclosed
US-20200185776-A1 SOLID ELECTROLYTE INTERPHASE (SEI) APPLICATION ON ANODE OF FLUORIDE ION/SHUTTLE BATTERIES CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-06-11 US disclosed