SCHEMBL9007997

SCHEMBL9007997

NC(=O)Cn1[c]nnn1

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
SCHEMBL8626713 0.79 L3MBTL1 (0.35)
SCHEMBL11399054 0.78 L3MBTL1 (0.31)
SCHEMBL11388024 0.76
SCHEMBL11398944 0.75 MEN1 (0.31)
SCHEMBL11180451 0.64
SCHEMBL333208 0.61
SCHEMBL2821117 0.57 KDM4E (0.68)
SCHEMBL458012 0.57 KDM4E (0.68)
SCHEMBL5307853 0.57
SCHEMBL3624681 0.57 KDM4E (0.68)

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548338-B1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS INTERMEDIATES ANTIBIOTICOS SPA (IT) 1996-10-23 EP claimed
US-5387679-A Useful intermediates in synthesis of Cefazolin and Cefazedone ANTIBIOTICOS S.P.A. (IT) 1995-02-07 US claimed
EP-0548338-A1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS INTERMEDIATES. ANTIBIOTICOS SPA (IT) 1993-06-30 EP claimed
WO-1993002085-A1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS INTERMEDIATES ANTIBIOTICOS S.P.A. (IT) 1993-02-04 WO claimed
US-4385178-A REACTION OF A CEPHALOSPORANIC ACID WITH A THIOL COMPOUND IN THE PRESENCE OF BORON TRIFLUORIDE TOYAMA CHEMICAL CO., LTD. (JP) 1983-05-24 US claimed
US-4317907-A ANHYDROUS CONDITIONS IN THE PRESENCE OF BOREN TRIFLUORIDE OR ONE OF ITS COMPLEXES TOYAMA CHEMICAL CO., LTD. (JP) 1982-03-02 US claimed
US-5387679-A Useful intermediates in synthesis of Cefazolin and Cefazedone ANTIBIOTICOS S.P.A. (IT) 1995-02-07 US disclosed
US-4729990-A PENICILLIN FARMITALIA CARLO ERBA S.P.A. (IT) 1988-03-08 US disclosed
US-4577016-A DISPLACEMENT FARMITALIA CARLO ERBA S.P.A. (IT) 1986-03-18 US disclosed
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP disclosed
US-4286089-A BACTERICIDES SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed
US-4220644-A BACTERICIDES SMITHKLINE CORPORATION (US) 1980-09-02 US disclosed
US-4198406-A Carbamoyl heterocyclicthio cephalosporins and pharmaceutical compositions formulated therewith BEECHAM GROUP LIMITED (GB) 1980-04-15 US disclosed
EP-0002774-A1 Process for acylating 7aminocephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 EP disclosed
US-4012379-A 7-Acetoacetamidocephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-15 US disclosed