SCHEMBL22552

SCHEMBL22552

C[CH]OC(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
Water SCHEMBL9782813 0.97 ALDH1A1 (0.39)
SCHEMBL515761 0.74 ALDH1A1 (0.44)
SCHEMBL15034490 0.74 ALDH1A1 (0.44)
SCHEMBL322668 0.74
SCHEMBL515760 0.74 ALDH1A1 (0.44)
SCHEMBL2719373 0.73
SCHEMBL1408674 0.73
SCHEMBL44046 0.73
SCHEMBL4624687 0.73
SCHEMBL28639812 0.71 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

Appears in 9697 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118340725-A Ketorolac ester injection and preparation method thereof 江苏康禾生物制药有限公司 2024-07-16 CN claimed
CN-118286148-A S-flurbiprofen diethylamine emulsion and preparation method thereof 江苏海洋大学 2024-07-05 CN claimed
US-20240209137-A1 REDUCING THE CONCENTRATION OF MONOMERIC POLYISOCYANATES IN POLYURETHANE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2024-06-27 US claimed
CN-118125916-A S- (+) -flurbiprofen salt and preparation method, pharmaceutical composition and application thereof 南京知和医药科技有限公司 2024-06-04 CN claimed
CN-117982420-A S (+) -flurbiprofen axetil emulsion for injection and preparation method thereof 西藏珠峰寿高生物药业有限公司 2024-05-07 CN claimed
EP-4359458-A1 REDUCING THE CONCENTRATION OF MONOMERIC POLYISOCYANATES IN POLYURETHANE COMPOSITIONS Sika Technology AG (CH) 2024-05-01 EP claimed
CN-117810540-A Secondary battery electrolyte and preparation method and application thereof 华中科技大学 2024-04-02 CN claimed
CN-116687869-B Double-carrier flurbiprofen axetil nano medicine-carrying material and preparation method thereof 广东省第二人民医院(广东省卫生应急医院) 2024-03-22 CN claimed
CN-117659018-A Chiral C1 symmetrical imidazole-pyridine-imidazolidinone tridentate nitrogen ligand, synthesis and application thereof 河南师范大学 2024-03-08 CN claimed
WO-2024047639-A1 INDOLIUM-BASED STABILIZERS OF HYDROPHOBIC DRUGS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2024-03-07 WO claimed
US-4007188-A DISPERSE DYES SANDOZ LTD. (CH) 1977-02-08 US claimed
US-4005094-A STABILIZERS AGAINST PHOTO- AND THERMAL-DETERIORATIONS SANKYO COMPANY LIMITED (JA) 1977-01-25 US claimed
US-3995992-A Transfer printing process for dyeing and printing organic material which can be dyed with cationic dyes CIBA-GEIGY AG (CH) 1976-12-07 US claimed
US-3988311-A POLYESTER TEXTILES CIBA-GEIGY AG (CH) 1976-10-26 US claimed
US-3984415-A ANTIINFLAMMATORY, ANTI-ULCERATIVE, ANALGETIC, ANTIPYRETIC, ANTIHISTAMINIC AND CNS DEPRESSANTS HISAMITSU PHARMACEUTICAL CO., INC. (JA) 1976-10-05 US claimed
US-RE28972-E SEDATIVES, ANTICONVULSANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-09-21 US claimed
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed
US-3956264-A Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US claimed
US-3947447-A CENTRAL NERVOUS SYSTEM DEPRESSANT, ANTICONVULSANT, MUSCLE RELAXANT, HYPOTENSIVE AMERICAN HOECHST CORPORATION (US) 1976-03-30 US claimed
US-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 US claimed