SCHEMBL29370232

SCHEMBL29370232

CCCCc1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.50
NQO2 P16083 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
GPR84 Q9NQS5 1/20 0.49
MTNR1A P48039 2/20 0.47
SLC18A2 Q05940 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46

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
SCHEMBL74016 1.00 BCHE (0.54) BCHECYP1A2CYP2C19CYP2D6CYP2C9
Phosphine SCHEMBL28240080 0.98 BCHE (0.52) BCHECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2586601 0.98 BCHE (0.52) BCHECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2586600 0.98 BCHE (0.52) BCHECYP1A2CYP2C19CYP2D6CYP2C9
Methane SCHEMBL27919120 0.96 BCHE (0.51) BCHECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL29694145 0.94 BCHE (0.52) BCHECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL460016 0.94 BCHE (0.52) BCHECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL283950 0.92 LIPG (0.55) BCHECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL599120 0.92 LIPG (0.55) BCHECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL422811 0.92 LIPG (0.55) BCHECYP1A2CYP2C19CYP2D6CYP2C9

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
CN-118480020-A Organic moisturizing solvent and application thereof 北京大学深圳研究生院 2024-08-13 CN disclosed
EP-4314202-A1 MESOPHASE PITCH COMPOSITIONS FROM AROMATIC FEEDSTOCKS, METHODS OF MAKING THE SAME, AND USES THEREOF ExxonMobil Chemical Patents Inc. (US) 2024-02-07 EP disclosed
US-20230416546-A1 Ink Jet Ink Composition And Ink Receiving Body SEIKO EPSON CORPORATION (JP) 2023-12-28 US disclosed
WO-2023153161-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICEELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE 三菱ケミカル株式会社 2023-08-17 WO disclosed
WO-2022211986-A1 MESOPHASE PITCH COMPOSITIONS FROM AROMATIC FEEDSTOCKS, METHODS OF MAKING THE SAME, AND USES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-10-06 WO disclosed
WO-2022025050-A1 METHOD FOR PRODUCING AMMONIA 国立大学法人東京大学 2022-02-03 WO disclosed