SCHEMBL29634686

SCHEMBL29634686

Fc1ccc([C@H]2CO2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
TSHR P16473 1/20 0.44
PARP1 P09874 1/20 0.39
GSTO1 P78417 3/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
KDM1A O60341 2/20 0.37
MAOB P27338 1/20 0.37
BACE1 P56817 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DRD3 P35462 2/20 0.35

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
SCHEMBL808678 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BTSHRPARP1
SCHEMBL15196460 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BTSHRPARP1
SCHEMBL248563 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BTSHRPARP1
SCHEMBL29478276 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BTSHRPARP1
Toluene SCHEMBL28202213 0.86 TSHR (0.47) HTR2AHTR2CHTR2BTSHRPARP1
SCHEMBL25262338 0.81 TSHR (0.40) HTR2AHTR2CHTR2BTSHRPARP1
SCHEMBL29628352 0.81 SLC6A2 (0.45) TSHRPARP1GSTO1IDO1TDO2
SCHEMBL31068687 0.81 ABCC9 (0.45) TSHR
SCHEMBL25303721 0.81 ABCC9 (0.45) TSHR
SCHEMBL16462593 0.81 GSTO1 (0.49) TSHRPARP1GSTO1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11710854-B2 Functional epoxides in catalyst-based electrolyte compositions for Li-ion batteries ENEVATE CORPORATION (US) 2023-07-25 US claimed
US-20220140392-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION 2022-05-05 US claimed
WO-2022093797-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO claimed
US-11710854-B2 Functional epoxides in catalyst-based electrolyte compositions for Li-ion batteries ENEVATE CORPORATION (US) 2023-07-25 US disclosed
US-20220140392-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION 2022-05-05 US disclosed
WO-2022093797-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO disclosed