SCHEMBL3710595

SCHEMBL3710595

C=C[C@@H]1COC(C)(C)O1

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
SCHEMBL93576 1.00
SCHEMBL6070950 1.00
SCHEMBL2541475 0.82 CA2 (0.30)
SCHEMBL10777932 0.78
SCHEMBL14690105 0.78
SCHEMBL19097311 0.77 CA2 (0.30)
SCHEMBL5690410 0.77 TDP1 (0.33)
Hexanoate SCHEMBL28220317 0.76 AKR1B1 (0.44)
SCHEMBL367023 0.76
SCHEMBL2257240 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740458-B1 Packaging comprising forms of sodium salt of 4-tert-butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)-phenyl]-benzenesulfonamide IP GES FÜR MAN MBH (DE) 2016-08-03 EP disclosed
WO-2010097350-A1 A PROCESS FOR THE PREPARATION OF AN ALDEHYDE BETA-LACTAM COMPOUND ADAMED SP. Z O.O. (PL) 2010-09-02 WO disclosed
US-7560575-B2 Process for preparation of racemic Nebivolol ACINO PHARMA AG (CH) 2009-07-14 US disclosed
US-20070149612-A1 Process for preparation of racemic Nebivolol ACINO PHARMA AG (CH) 2007-06-28 US disclosed
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
EP-1567532-A1 OXAZOLIDINONE AND / OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS Astrazeneca AB (SE) 2005-08-31 EP disclosed
WO-2004048392-A1 OXAZOLIDINONE AND / OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2004-06-10 WO disclosed