SCHEMBL2222032

SCHEMBL2222032

[CH2]OC(=O)C(C)(C)CC

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
SCHEMBL5764839 0.80 ELANE (0.46)
SCHEMBL12230935 0.79
SCHEMBL385083 0.78 ALDH1A1 (0.39)
SCHEMBL5422387 0.78 CYP4F2 (0.34)
SCHEMBL9688367 0.77
SCHEMBL9687076 0.77
SCHEMBL9235035 0.77
SCHEMBL47401 0.76
SCHEMBL6247891 0.76
SCHEMBL4400197 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004046153-A1 PRODRUG ESTERS OF CEFTRIAXONE RANBAXY LABORATORIES LIMITED (IN) 2004-06-03 WO claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 EP claimed
US-5194634-A Coenzyme A inhibitors E. R. SQUIBB & SONS, INC. (US) 1993-03-16 US claimed
US-5157134-A HMG-COA reductase inhibitors; antilipemic agents; promotes high-density lipoproteins; antitumor agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US claimed
EP-0370454-A2 Renin-inhibiting amino diol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP claimed
EP-0329013-A2 Renin-inhibiting amino acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP claimed
WO-2011084846-A1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2004046153-A1 PRODRUG ESTERS OF CEFTRIAXONE RANBAXY LABORATORIES LIMITED (IN) 2004-06-03 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO disclosed
EP-0497978-B1 CEPHALOSPORIN COMPOUNDS AND PRODUCTION THEREOF KYOTO PHARMA IND (JP) 1997-04-16 EP disclosed
US-4847286-A ANTIALLERGENS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-07-11 US disclosed
EP-0293771-A2 Cephalosporin compound and pharmaceutical composition thereof Kyoto Pharmaceutical Industries, Ltd. (JP) 1988-12-07 EP disclosed
EP-0108942-B1 CEPHALOSPORIN DERIVATIVES, METHODS OF PRODUCTION THEREOF AND PROPHYLACTIC AND THERAPEUTIC AGENTS FOR BACTERIAL INFECTION KYOTO PHARMA IND (JP) 1988-03-02 EP disclosed
EP-0233946-A1 CHROMOGLYCIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION Kyoto Pharmaceutical Industries, Ltd. (JP) 1987-09-02 EP disclosed
US-4605651-A BACTERICIDES KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-08-12 US disclosed
EP-0108942-A2 Cephalosporin derivatives, methods of production thereof and prophylactic and therapeutic agents for bacterial infection Kyoto Pharmaceutical Industries, Ltd. (JP) 1984-05-23 EP disclosed