SCHEMBL22734784

SCHEMBL22734784

c1csc(-c2sccc2-c2ccsc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.40
CYP2A6 P11509 4/20 0.39
CYP2B6 P20813 3/20 0.39
CYP2E1 P05181 2/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 2/20 0.37
MAPK14 Q16539 1/20 0.37
MAPT P10636 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 4/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
LTA4H P09960 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TDO2 P48775 1/20 0.34
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL22734794 0.86 FYN (0.40) FYNCYP2A6CYP2B6CYP2E1CYP3A4
Alpha-Terthienyl SCHEMBL9297954 0.85 DPP4 (0.41) FYNCYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL12270316 0.81 KCNH2 (0.41) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
Benzene SCHEMBL28260577 0.81 CYP2A6 (0.50) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL165236 0.81 CYP2A6 (0.43) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
Benzene SCHEMBL27761468 0.79 PTGS2 (0.47) FYNCYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL7802382 0.79 PTGS2 (0.47) FYNCYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL147273 0.78 KDM4E (0.42) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL769338 0.78 CYP2A6 (0.50) FYNCYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL365802 0.78 KDM4E (0.42) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9

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
US-20200388836-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONAL TERTHIOPHENE COMPOUND OR THIOPHENE OLIGOMER COMPOUND CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2020-12-10 US claimed
US-11605813-B2 Silicon-based energy storage devices with functional terthiophene compound or thiophene oligomer compound containing electrolyte additives ENEVATE CORPORATION (US) 2023-03-14 US disclosed
US-20200388836-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONAL TERTHIOPHENE COMPOUND OR THIOPHENE OLIGOMER COMPOUND CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2020-12-10 US disclosed
US-20200388836-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONAL TERTHIOPHENE COMPOUND OR THIOPHENE OLIGOMER COMPOUND CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2020-12-10 US disclosed