Benzaldehyde

Benzaldehyde

SCHEMBL3842987

CC(=O)c1ccc(C)cc1.O=Cc1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.54
MAPT P10636 6/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
POLB P06746 1/20 0.54
CYP2A6 P11509 2/20 0.54
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
STAT3 P40763 1/20 0.52
STAT1 P42224 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 3/20 0.49
HPGD P15428 3/20 0.47
MEN1 O00255 1/20 0.47
VCP P55072 1/20 0.46
CYP3A4 P08684 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
Acetophenone SCHEMBL3398432 0.88 ALDH1A1 (0.61) CYP1B1MAPTNPC1RAB9ACYP2A6
4-Methylbenzoic Acid SCHEMBL29038296 0.87 ALDH1A1 (0.67) CYP1B1MAPTNPC1RAB9APOLB
Benzaldehyde SCHEMBL3170292 0.85 ALDH1A1 (0.49) CYP1B1MAPTNPC1RAB9APOLB
Acetophenone SCHEMBL445080 0.84 CES2 (0.71) MAPTNPC1RAB9APOLBALDH1A1
P-Xylene SCHEMBL28144631 0.84 CYP2A6 (0.75) CYP1B1MAPTNPC1RAB9APOLB
Benzaldehyde SCHEMBL8068794 0.82 CYP2A6 (0.80) CYP1B1MAPTNPC1RAB9APOLB
SCHEMBL97268 0.82 ALDH1A1 (0.62) MAPTRAB9ACYP2A6ALDH1A1SMN1; SMN2
P-Methoxy-Acetophenone SCHEMBL27347081 0.81 ALDH1A1 (0.58) CYP1B1MAPTNPC1RAB9ACYP2A6
Benzaldehyde SCHEMBL27654962 0.81 ALDH1A1 (0.51) CYP1B1MAPTNPC1RAB9APOLB
Acetic Acid SCHEMBL27450936 0.80 CYP2A6 (0.76) MAPTRAB9ACYP2A6ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230193161-A1 Composition, Aerosol Composition, Cleaning Agent, Solvent, Silicone Solvent, Foaming Agent, Heat-Transfer Medium, Fire Extinguishing Agent, and Fumigant Containing the Composition, Heat-Transfer Device Containing the Heat-Transfer Medium, and System Containing the Heat-Transfer Device CENTRAL GLASS COMPANY, LIMITED (JP) 2023-06-22 US disclosed
EP-4183860-A1 COMPOSITION; AEROSOL COMPOSITION, CLEANING AGENT, SOLVENT, SILICONE SOLVENT, FOAMING AGENT, HEAT TRANSFER MEDIUM, FIRE EXTINGUISHING AGENT, AND FUMIGANT CONTAINING SAID COMPOSITION; HEAT TRANSFER DEVICE CONTAINING SAID HEAT TRANSFER MEDIUM; AND SYSTEM CONTAINING SAID HEAT TRANSFER DEVICE Central Glass Company, Limited (JP) 2023-05-24 EP disclosed
CN-116057161-A Composition, aerosol composition containing composition, cleaning agent, solvent, silicone solvent, foaming agent, heat transfer medium, fire extinguishing agent, and fumigant, heat transfer device containing heat transfer medium, and system containing heat transfer device 中央硝子株式会社 2023-05-02 CN disclosed
EP-2849563-B1 INSECTICIDAL WATER IN OIL FORMULA BAYER CROPSCIENCE AG (DE) 2020-01-22 EP disclosed
US-10104884-B2 Insecticidal water-in-oil (W/O) formulation BAYER CROPSCIENCE AG (DE) 2018-10-23 US disclosed
CN-104686490-B Insect control device and application thereof 拜耳知识产权有限责任公司 2018-10-09 CN disclosed
CN-104686490-A Paper impregnated with insecticides BAYER CROPSCIENCE AG 2015-06-10 CN disclosed
US-20150098975-A1 INSECTICIDAL WATER-IN-OIL (W/O) FORMULATION DISCOVERY PURCHASER CORPORATION 2015-04-09 US disclosed
EP-2849562-A1 INSECTICIDAL OIL-IN WATER (O/W) FORMULATION Bayer CropScience AG (DE) 2015-03-25 EP disclosed
CN-104470356-A Water-in-oil (W/O) insecticide formulation BAYER CROPSCIENCE AG 2015-03-25 CN disclosed
EP-2106211-A2 PLANT PROTECTION GRANULATES TO BE APPLIED TO THE LEAF SURFACE Bayer CropScience Aktiengesellschaft (DE) 2009-10-07 EP disclosed
CN-101448394-A Paper impregnated with insecticide BAYER CROPSCIENCE AG (DE) 2009-06-03 CN disclosed
WO-2008061655-A2 PLANT PROTECTION GRANULATES TO BE APPLIED TO THE LEAF SURFACE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-05-29 WO disclosed
WO-2007131679-A2 PAPER IMPREGNATED WITH INSECTICIDES BAYER CROPSCIENCE AG (DE) 2007-11-22 WO disclosed
EP-0693254-B1 Gel formulations containing insecticides for vaporizer systems BAYER AG (DE) 2001-10-24 EP disclosed
US-6183765-B1 SILICONE ELASTOMERS CAPABLE OF RELEASING PYRETHROID INSECTICIDES COMPRISED IN THEM, WITH OR WITHOUT HEATING, WITHOUT CHANGING THEIR FORM IN THE PROCESS. BAYER AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
US-6171608-B1 TRANSFLUTHRIN, EMULSIFIER, AND CO-SURFACTANTS; SUSTAINED RELEASE BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5645845-A CONTAINING PYRETHROID-TYPE COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1997-07-08 US disclosed
EP-0693254-A1 Gel formulations containing insecticides for vaporizer systems BAYER AG (DE) 1996-01-24 EP disclosed
US-4663315-A Device and method for vaporizing thermally vaporizable composition EARTH CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed