SCHEMBL95885

SCHEMBL95885

CCC(=O)CC[O]

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
SCHEMBL619312 0.82 TDP1 (0.69)
SCHEMBL98268 0.81
SCHEMBL2525786 0.79
SCHEMBL8371300 0.79 TDP1 (0.64)
SCHEMBL8984748 0.79 TDP1 (0.64)
SCHEMBL30255411 0.79 TDP1 (0.64)
SCHEMBL13379743 0.79 TDP1 (0.64)
Hydrogen Sulfide SCHEMBL29291893 0.79 TDP1 (0.64)
SCHEMBL5346675 0.78
SCHEMBL5613484 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-7842744-B2 excellent in ultraviolet absorption capability at 380 nm with little bleed-out; resin and an absorber, which is a tris/2-hydroxyphenyl/ triazine compound ADEKA CORPORATION (JP) 2010-11-30 US claimed
US-20090258976-A1 excellent in ultraviolet absorption capability at 380 nm with little bleed-out; resin and an absorber, which is a tris/2-hydroxyphenyl/ triazine compound NEGISHI YOSHINORI 2009-10-15 US claimed
US-7553892-B2 excellent in ultraviolet absorption capability at 380 nm with little bleed-out; resin and an absorber, which is a tris/2-hydroxyphenyl/ triazine compound ADEKA CORPORATION (JP) 2009-06-30 US claimed
EP-3099683-B1 QUINONE-MASKED PROBES AS LABELING REAGENTS FOR CELL UPTAKE MEASUREMENTS PROMEGA CORP (US) 2020-08-05 EP disclosed
EP-3099691-B1 PRO-SUBSTRATES FOR LIVE CELL APPLICATIONS PROMEGA CORP (US) 2019-11-20 EP disclosed
US-9927430-B2 Pro-substrates for live cell applications PROMEGA CORPORATION (US) 2018-03-27 US disclosed
US-9790537-B2 Quinone-masked probes as labeling reagents for cell uptake measurements PROMEGA CORPORATION (US) 2017-10-17 US disclosed
EP-3099683-A1 QUINONE-MASKED PROBES AS LABELING REAGENTS FOR CELL UPTAKE MEASUREMENTS Promega Corporation (US) 2016-12-07 EP disclosed
EP-3099691-A1 PRO-SUBSTRATES FOR LIVE CELL APPLICATIONS Promega Corporation (US) 2016-12-07 EP disclosed
US-20150307916-A1 QUINONE-MASKED PROBES AS LABELING REAGENTS FOR CELL UPTAKE MEASUREMENTS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2015-10-29 US disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed
US-4439229-A Substituted phthalimides herbicides ROHM AND HAAS COMPANY (US) 1984-03-27 US disclosed
EP-0068822-A2 Novel heterocyclic substituted benzenes, herbicidal compositions containing them and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1983-01-05 EP disclosed
US-4309432-A TOPICAL ADMINISTRATION OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1982-01-05 US disclosed