SCHEMBL6821168

SCHEMBL6821168

[CH2]OOC(=O)C(C)(C)C

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
SCHEMBL1141547 0.81 ELANE (0.40)
SCHEMBL31361800 0.78 ELANE (0.39)
SCHEMBL30972534 0.75 ELANE (0.37)
SCHEMBL15138 0.75
SCHEMBL28850623 0.75 ELANE (0.37)
SCHEMBL28612339 0.73
Acetic Acid SCHEMBL28518327 0.73 FFAR3 (0.44)
SCHEMBL6821171 0.73
SCHEMBL28121187 0.73
SCHEMBL17706792 0.73

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 11 patents. 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
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US claimed
US-8586020-B2 Poly(organophosphazene) composition for biomaterials KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-11-19 US disclosed
WO-2004046153-A1 PRODRUG ESTERS OF CEFTRIAXONE RANBAXY LABORATORIES LIMITED (IN) 2004-06-03 WO disclosed
EP-0907653-A1 PROCESS FOR THE PREPARATION OF PENAM AND PENEM DERIVATIVES ZENECA LIMITED (GB) 1999-04-14 EP disclosed
EP-0906312-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM DERIVATIVES AND INTERMEDIATES THEREOF ZENECA LIMITED (GB) 1999-04-07 EP disclosed
WO-1998000429-A1 PROCESS FOR THE PREPARATION OF PENAM AND PENEM DERIVATIVES ZENECA LIMITED (GB) 1998-01-08 WO disclosed
WO-1997047621-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM DERIVATIVES AND INTERMEDIATES THEREOF ZENECA LIMITED (GB) 1997-12-18 WO disclosed
EP-0166972-B1 PENEM DERIVATIVES, METHODS OF PRODUCING THEM, THEIR USE AND PHARMACEUTICAL COMPOSITIONS FARMITALIA CARLO ERBA S.r.l. (IT) 1989-04-19 EP disclosed
US-4618606-A Antibiotic 7-(thiazolyl)-3-(pyrazinylmethyl) or (pyridazinylmethyl) cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1986-10-21 US disclosed
EP-0055990-B1 BETA-LACTAM ANTIBIOTICS, THEIR PREPARATION AND USE BEECHAM GROUP PLC (GB) 1986-06-11 EP disclosed