SCHEMBL3899481

SCHEMBL3899481

CCC=[C]CCCC

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
SCHEMBL8750140 0.92
SCHEMBL27710723 0.89 TSHR (0.42)
SCHEMBL10717466 0.89 TSHR (0.42)
SCHEMBL8187524 0.89 TSHR (0.42)
SCHEMBL3897705 0.89 TSHR (0.42)
SCHEMBL8187522 0.89 TSHR (0.42)
SCHEMBL10717470 0.89 TSHR (0.42)
SCHEMBL3897707 0.89 TSHR (0.42)
SCHEMBL9315797 0.89 TSHR (0.42)
SCHEMBL386401 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501846-B1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LAB (US) 2009-03-18 EP disclosed
US-6998390-B2 Oxolide antibacterials ABBVIE INC. 2006-02-14 US disclosed
US-6992069-B2 Tricyclic macrolide antibacterial compounds ABBVIE INC. 2006-01-31 US disclosed
US-20050267054-A1 Antibacterial compounds with improved pharmacokinetic profiles CLARK RICHARD F 2005-12-01 US disclosed
EP-1579864-A1 Oxolide antibacterials ABBOTT LABORATORIES (US) 2005-09-28 EP disclosed
US-6933283-B2 11-deoxy azalide antibacterials ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed
US-20040033970-A1 Antibacterial compounds with improved pharmacokinetic profiles ABBOTT LABORATORIES 2004-02-19 US disclosed
US-20040029818-A1 Tricyclic macrolide antibacterial compounds ABBVIE INC. 2004-02-12 US disclosed
US-20040014687-A1 Macrolide antibacterial compounds ABBOTT LABORATORIES 2004-01-22 US disclosed
US-20040014688-A1 Oxolide antibacterials ABBVIE INC. 2004-01-22 US disclosed
US-20040014691-A1 9-Oxime macrolide antibacterials ABBOTT LABORATORIES 2004-01-22 US disclosed
US-20040014953-A1 11-Deoxy azalide antibacterials ABBVIE INC. 2004-01-22 US disclosed
US-20040009932-A1 Antibacterial compounds with activity against penicillin-resistant streptococcus pneumoniae ABBOTT LABORATORIES 2004-01-15 US disclosed
US-20030207820-A1 Antibacterial compounds with improved pharmacokinetic profiles ABBOTT LABORATORIES 2003-11-06 US disclosed