SCHEMBL4968495

SCHEMBL4968495

CC(C)(C)C(=O)Cn1ccnc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
TBXAS1 P24557 4/20 0.47
EGLN3 Q9H6Z9 1/20 0.47
CYP19A1 P11511 1/20 0.46
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLAA Q9Y263 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HMOX2 P30519 1/20 0.44
FDPS P14324 1/20 0.43

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
SCHEMBL20794145 0.84 ALDH1A1 (0.55) ALDH1A1TBXAS1EGLN3CYP19A1ALPI
SCHEMBL11285751 0.82 ALDH1A1 (0.53) ALDH1A1TBXAS1EGLN3CYP19A1ALPI
SCHEMBL20665308 0.81 EGLN3 (0.62) ALDH1A1TBXAS1EGLN3L3MBTL1FDPS
SCHEMBL412255 0.78
SCHEMBL7241523 0.77 ALDH1A1 (0.72) ALDH1A1EGLN3CYP19A1ALPIALPG
SCHEMBL8248148 0.77 ALDH1A1 (0.59) ALDH1A1TBXAS1EGLN3CYP19A1
SCHEMBL4151455 0.77 ALDH1A1 (0.55) ALDH1A1TBXAS1EGLN3CYP19A1ALPI
SCHEMBL23846680 0.76 TBXAS1 (0.58) ALDH1A1TBXAS1CYP19A1
SCHEMBL10362593 0.76 ALDH1A1 (0.46) ALDH1A1TBXAS1EGLN3CYP19A1ALPI
SCHEMBL10846758 0.75 TSHR (0.41) ALDH1A1CYP19A1ALPGPLAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890951-A Synthesis method of Ganbaosu 山东汉峰新材料科技有限公司 2022-08-12 CN claimed
EP-2356977-B1 Preparations with wood extracts of Gleditsia SYMRISE AG (DE) 2017-12-27 EP claimed
EP-1957168-A2 GLUCAN COMPOSITIONS Ciba Holding Inc. (CH) 2008-08-20 EP claimed
WO-2007062995-A2 GLUCAN COMPOSITIONS CIBA HOLDING INC. (CH) 2007-06-07 WO claimed
WO-2026087745-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-30 WO disclosed
EP-4433565-A1 FRAGRANCES AND FRAGRANCE MIXTURES Symrise AG (DE) 2024-09-25 EP disclosed
CN-116583261-A Method for combating microorganisms using menthol derivatives 西姆莱斯股份公司 2023-08-11 CN disclosed
CN-116546890-A Liquid composition comprising cereal beta-glucan or cereal extract containing beta-glucan 西姆莱斯股份公司 2023-08-04 CN disclosed
CN-116348086-A Surfactant-containing formulations of ceramide 西姆莱斯股份公司 2023-06-27 CN disclosed
WO-2023088551-A1 FRAGRANCES AND FRAGRANCE MIXTURES SYMRISE AG (DE) 2023-05-25 WO disclosed
CN-115305215-A Novel bacterial starter of the genus lactobacillus 西姆莱斯股份公司 2022-11-08 CN disclosed
CN-115279333-A Composition or oat extract comprising avenanthramide and beta-glucan 西姆莱斯股份公司 2022-11-01 CN disclosed
US-4380628-A REACTING THE KETO-ENAMINE-SUBSTITUTED IMIDAZOLE OR 1,2,4-TRIAZOLE DERIVATIVE WITH A GINR ARD REAGENT; FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-04-19 US disclosed
EP-0032239-B1 METHOD FOR PREPARING AZOLYL-VINYL-KETONES BAYER AG (DE) 1983-01-12 EP disclosed
EP-0049913-A2 New ethenylimidazole derivatives, processes for their preparation and pharmaceutical compositions containing them; intermediates, useful in their preparation and a process for the preparation thereof GIST-BROCADES N.V. (NL) 1982-04-21 EP disclosed
EP-0041615-A1 Use of imidazolyl-vinyl ketones and alcohols as antimicrobial agents BAYER AG (DE) 1981-12-16 EP disclosed
EP-0040366-A1 Imidazolyl-vinyl ketones and carbinols, process for their preparation and their use as fungicides BAYER AG (DE) 1981-11-25 EP disclosed
EP-0032239-A1 Method for preparing azolyl-vinyl-ketones BAYER AG (DE) 1981-07-22 EP disclosed
EP-0027177-A1 1-Azolyl-1-halogen-alkan-2-ones and process for the preparation of 1-azolyl-1-phenoxy-alkan-2-ones BAYER AG (DE) 1981-04-22 EP disclosed
US-4203995-A 1-Phenyl-2-azolyl-4,4-dimethyl-1-penten-3-ols and the fungicidal use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-20 US disclosed