SCHEMBL31036732

SCHEMBL31036732

[P]OC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
IDO1 P14902 5/20 0.46
TDO2 P48775 5/20 0.46
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40

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
SCHEMBL297154 0.77 IDO1 (0.46) ESR1ESR2IDO1TDO2CYP2D6
SCHEMBL127629 0.75 IDO1 (0.46) ESR1IDO1TDO2CYP2D6DPP4
Methane SCHEMBL29089947 0.73 IDO1 (0.44) IDO1TDO2CYP2D6DPP4F2
Ammonia Solution, Strong SCHEMBL7282272 0.73 IDO1 (0.44) IDO1TDO2CYP2D6DPP4F2
Water SCHEMBL11878861 0.73 IDO1 (0.44) IDO1TDO2CYP2D6DPP4F2
SCHEMBL777203 0.72 SRC (0.47) ESR1ESR2IDO1TDO2CYP2D6
SCHEMBL5858357 0.72 IDO1 (0.43) ESR1ESR2IDO1TDO2CYP2D6
SCHEMBL28752431 0.72 ESR1 (0.59) ESR1ESR2IDO1TDO2CYP2D6
SCHEMBL3990914 0.72 ESR1 (0.59) ESR1ESR2IDO1TDO2CYP2D6
SCHEMBL20483494 0.71 ESR1 (0.79) ESR1ESR2F2TSHRLMNA

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
CN-119275351-A Electrolyte and secondary battery 深圳欣界能源科技有限公司 2025-01-07 CN disclosed
CN-118472394-B Electrolyte and secondary battery 深圳欣界能源科技有限公司 2024-10-29 CN disclosed
CN-118472394-A Electrolyte and secondary battery 深圳欣界能源科技有限公司 2024-08-09 CN disclosed