SCHEMBL28367193

SCHEMBL28367193

Fc1ccc(CCOCCc2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
MAOB P27338 3/20 0.46
IDO1 P14902 3/20 0.46
AGXT P21549 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
AOC3 Q16853 1/20 0.45
ELOVL1 Q9BW60 2/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL321367 0.89 TAAR1 (0.45) TAAR1MAOBIDO1AGXTAOC3
SCHEMBL8097545 0.89 TAAR1 (0.61) TAAR1MAOBIDO1AGXTLOXL2
SCHEMBL17986295 0.89 TAAR1 (0.45) TAAR1MAOBIDO1AGXTLOXL2
SCHEMBL23183196 0.86 TAAR1 (0.46) TAAR1MAOBIDO1AGXTLOXL2
SCHEMBL5978162 0.86 TAAR1 (0.46) TAAR1MAOBIDO1AGXTLOXL2
SCHEMBL17662689 0.86 RAB9A (0.49) TAAR1MAOBIDO1AGXTAOC3
SCHEMBL6542140 0.86 TAAR1 (0.46) TAAR1MAOBIDO1AGXTLOXL2
SCHEMBL23182826 0.85 TSHR (0.47) TAAR1
SCHEMBL6652542 0.85 TAAR1 (0.42) TAAR1MAOBELOVL1
SCHEMBL24938195 0.85 TAAR1 (0.47) TAAR1MAOBIDO1

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-117790893-A Electrolyte and lithium battery containing same 蜂巢能源科技股份有限公司 2024-03-29 CN claimed
CN-116444375-B Method for in-situ nitration of halogenated aromatic hydrocarbon under catalysis of light-induced iridium metal 平顶山学院 2024-06-14 CN disclosed
CN-116632357-A Ether electrolyte and application thereof in lithium metal battery 华中科技大学 2023-08-22 CN disclosed
CN-116444375-A Method for in-situ nitration of halogenated aromatic hydrocarbon under catalysis of light-induced iridium metal 平顶山学院 2023-07-18 CN disclosed
CN-110724092-A Continuous production method for synthesizing quinolinic acid by oxidizing sodium chlorate 黄骅市信诺立兴精细化工股份有限公司 2020-01-24 CN disclosed