SCHEMBL27716367

SCHEMBL27716367

O=C(c1ccccc1)c1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
AKR1C3 P42330 1/20 0.55
CDC25B P30305 1/20 0.53
ATM Q13315 1/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
BCAT2 O15382 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
HNF4A P41235 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
XBP1 P17861 1/20 0.47
HKDC1 Q2TB90 1/20 0.47

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
Hydrogen Sulfide SCHEMBL27800862 0.98 ALDH1A1 (0.58) ALDH1A1AKR1C3CDC25BATMGAA
SCHEMBL472751 0.92 ALDH1A1 (0.63) ALDH1A1AKR1C3CDC25BATMGAA
Benzophenone SCHEMBL27513399 0.90 ALDH1A1 (0.61) ALDH1A1AKR1C3CDC25BATMGAA
SCHEMBL10029709 0.90 BCAT2 (0.57) ALDH1A1CDC25BATMGAAMAPT
SCHEMBL934811 0.89 AKR1C3 (0.67) ALDH1A1AKR1C3CDC25BATMGAA
Ethyne SCHEMBL14893380 0.88 ALDH1A1 (0.59) ALDH1A1AKR1C3CDC25BATMGAA
SCHEMBL28162861 0.88 CDC25B (0.63) ALDH1A1AKR1C3CDC25BATMGAA
SCHEMBL28062549 0.88 ALDH1A1 (0.59) ALDH1A1AKR1C3CDC25BATMGAA
SCHEMBL28586503 0.88 AKR1C3 (0.59) ALDH1A1AKR1C3CDC25BATMGAA
SCHEMBL27884190 0.85 MAPK13 (0.56) ALDH1A1AKR1C3CDC25BATMGAA

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-115201346-A Preparation and detection method of to-be-detected sample of photoinitiator in packaging material 湖南中烟工业有限责任公司 2022-10-18 CN claimed
CN-111308003-A Method for simultaneously detecting diisopropylnaphthalenes, polychlorinated biphenyls, phthalate compounds and photoinitiator 福建中烟工业有限责任公司 2020-06-19 CN claimed
CN-113514529-B Method for rapidly detecting photoinitiator in cigarette paper 湖南中烟工业有限责任公司 2022-11-11 CN disclosed
CN-111308003-A Method for simultaneously detecting diisopropylnaphthalenes, polychlorinated biphenyls, phthalate compounds and photoinitiator 福建中烟工业有限责任公司 2020-06-19 CN disclosed
CN-101088046-B Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO 2011-05-25 CN disclosed
CN-101088046-A Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO (JP) 2007-12-12 CN disclosed