SCHEMBL548390

SCHEMBL548390

Cc1ccc(C(C=O)C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
CHRNA7 P36544 1/20 0.42
ACHE P22303 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
STAT3 P40763 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
PKM P14618 2/20 0.36
HTT P42858 2/20 0.36
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TYR P14679 1/20 0.36
NLRP1 Q9C000 1/20 0.36

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
SCHEMBL11611731 0.79 CYP2A6 (0.46) CYP2A6CHRNA7ACHETDP1STAT3
SCHEMBL15602735 0.79 CYP2A6 (0.46) CYP2A6CHRNA7ACHETDP1STAT3
SCHEMBL872965 0.77 CYP2A6 (0.44) CYP2A6CHRNA7ACHETDP1STAT3
SCHEMBL1532439 0.77 CYP2A6 (0.44) CYP2A6CHRNA7ACHETDP1STAT3
SCHEMBL4831627 0.77 CYP2A6 (0.44) CYP2A6CHRNA7ACHETDP1STAT3
Isobutane SCHEMBL19460561 0.75 CYP2A6 (0.42) CYP2A6CHRNA7ACHETDP1STAT3
SCHEMBL14293371 0.75 CYP2A6 (0.42) CYP2A6CHRNA7ACHETDP1STAT3
SCHEMBL21597319 0.75 CYP2A6 (0.42) CYP2A6CHRNA7ACHETDP1STAT3
SCHEMBL2468299 0.75 CYP2A6 (0.42) CYP2A6CHRNA7ACHETDP1STAT3
SCHEMBL2356074 0.75 CYP2A6 (0.42) CYP2A6CHRNA7ACHETDP1STAT3

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2808736-B1 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO (JP) 2018-07-18 EP claimed
EP-2808736-A2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-12-03 EP claimed
EP-2662727-A2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-13 EP claimed
CN-110520433-B Phosphorus-containing phenol compound, phosphorus-containing epoxy resin, curable resin composition or epoxy resin composition, and cured product thereof 日铁化学材料株式会社 2023-12-05 CN disclosed
CN-110951048-B Phosphorus-containing hardener, epoxy resin composition, cured product, prepreg, and laminate 日铁化学材料株式会社 2023-09-29 CN disclosed
CN-109666163-B Hybrid crosslinked dynamic polymer and application thereof 厦门逍扬运动科技有限公司 2023-05-12 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-108008600-B Radiation-sensitive composition 三菱瓦斯化学株式会社 2021-02-09 CN disclosed
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-1216045-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS American Cynamid Company (US) 2002-06-26 EP disclosed
EP-1189916-A2 N-PYRAZOLE A 2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2002-03-27 EP disclosed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 WO disclosed
WO-2000078779-A2 N-PYRAZOLE A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2000-12-28 WO disclosed
EP-1000062-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1999006409-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
US-3957817-A BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed