SCHEMBL105913

SCHEMBL105913

CCC(=O)C(C)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL1819319 1.00
SCHEMBL1820421 1.00
SCHEMBL29124840 0.97
Formaldehyde SCHEMBL9318612 0.94 TP53 (0.40)
Bicarbonate SCHEMBL27946878 0.94 TP53 (0.47)
Formaldehyde SCHEMBL2108473 0.94 TP53 (0.40)
SCHEMBL29214641 0.84 SMN1; SMN2 (0.42)
SCHEMBL7928098 0.83 ALDH1A1 (0.33)
SCHEMBL3177609 0.76
SCHEMBL7752906 0.76 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4672967-A2 ALTERNATIVE COFFEE BEVERAGES Compound Foods Inc. (US) 2026-01-07 EP claimed
US-20250120413-A1 ALTERNATIVE COFFEE BEVERAGES COMPOUND FOODS INC (US) 2025-04-17 US claimed
WO-2024182557-A2 ALTERNATIVE COFFEE BEVERAGES COMPOUND FOODS INC. (US) 2024-09-06 WO claimed
EP-4391816-A1 ALTERNATIVE COFFEE BEVERAGES Compound Foods Inc. (US) 2024-07-03 EP claimed
WO-2024104886-A1 METHOD FOR EXTRACTION AND TRANSFORMATION BY HYDROLYSIS OF PHTHALATES CONTAINED IN PVC PLASTICS IFP Energies Nouvelles (FR) 2024-05-23 WO claimed
CN-117694403-A Dendrobium devonianum extract and application thereof in preparation of anti-alcohol preparation 湖北省医药工业研究院有限公司 2024-03-15 CN claimed
CN-116003245-A Preparation method of 2-hydroxy-3-oxopentane diacid 苏州永健生物医药有限公司 2023-04-25 CN claimed
WO-2023028616-A1 ALTERNATIVE COFFEE BEVERAGES COMPOUND FOODS INC. (US) 2023-03-02 WO claimed
CN-110174330-A A kind of accurate evaluation method of acidified milk cream sense 中国农业大学 2019-08-27 CN claimed
US-10259766-B1 Preparation method for 2,3-pentanedione HUAIYIN INSTITUTE OF TECHNOLOGY (CN) 2019-04-16 US claimed
US-6365709-B1 POST TREATMENT OF POLYMERS TO REMOVE MONOMERS WITH OXIDATION BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US claimed
US-6165517-A Process for preparing acetophenone, products produced therefrom and organoleptic uses of said products INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-12-26 US claimed
US-5708112-A Styrene copolymers, polystyrene compositions, and injection-molded articles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US claimed
US-5459210-A Processes for producing styrene copolymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-17 US claimed
US-5370139-A Tobacco treatment process R. J. REYNOLDS TOBACCO COMPANY (US) 1994-12-06 US claimed
EP-0413368-B1 Bread aroma, production thereof, and use of the same for the aromatisation of foodstuffs and delicacies THURN & TAXIS BRAUEREI (DE) 1994-08-17 EP claimed
EP-0564356-A1 4-phenylaminomethylimidazole derivatives, process for their preparation, angiotensin II receptor antagonists and their application in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1993-10-06 EP claimed
EP-0268554-B1 1,5-DIPHENYL PYRAZOLE-3-CARBONIC-ACID DERIVATIVES FOR THE PROTECTION OF CULTURED PLANTS CIBA-GEIGY AG (CH) 1991-12-27 EP claimed
EP-0413368-A1 Bread aroma, production thereof, and use of the same for the aromatisation of foodstuffs and delicacies FÜRSTLICHE BRAUEREI THURN UND TAXIS REGENSBURG GMBH (DE) 1991-02-20 EP claimed
US-4260641-A Mixtures containing isobutyl substituted heterocyclic compounds and flavor use thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-04-07 US claimed