SCHEMBL6533317

SCHEMBL6533317

CCCCCOCC#N

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
SCHEMBL2287855 0.98 HTT (0.46)
SCHEMBL7940754 0.98 HTT (0.46)
SCHEMBL11427894 0.98 HTT (0.46)
SCHEMBL9696541 0.92
SCHEMBL2043658 0.81
SCHEMBL1814059 0.78 TSHR (0.59)
SCHEMBL19562053 0.78 TSHR (0.59)
SCHEMBL8755575 0.78 TSHR (0.52)
Water SCHEMBL2360183 0.78 THRB (0.62)
Water SCHEMBL28885896 0.78 THRB (0.62)

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
US-6271392-B1 Intermediates useful for the synthesis of 1-arylpyrrole pesticides RHONE-POULENC INC. 2001-08-07 US claimed
EP-0708090-A1 Intermediates useful for the synthesis of pesticides RHONE-POULENC AGROCHIMIE (FR) 1996-04-24 EP claimed
US-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF Apollo Therapeutics Limited (GB) 2023-08-10 US disclosed
US-20180021277-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS CASE WESTERN RESERVE UNIVERSITY 2018-01-25 US disclosed
US-9782363-B2 Anti-virulance compositions and methods CASE WESTERN RESERVE UNIVERSITY (US) 2017-10-10 US disclosed
US-20150265550-A1 ANTI-VIRULANCE COMPOSITIONS AND METHODS CASE WESTERN RESERVE UNIVERSITY 2015-09-24 US disclosed
US-6903101-B1 Substituted pyridazines and fused pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
EP-1208096-B1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER AG (US) 2004-04-28 EP disclosed
EP-1208096-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Corporation (US) 2002-05-29 EP disclosed
US-6271392-B1 Intermediates useful for the synthesis of 1-arylpyrrole pesticides RHONE-POULENC INC. 2001-08-07 US disclosed
WO-2001010859-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORPORATION (US) 2001-02-15 WO disclosed
EP-0708090-A1 Intermediates useful for the synthesis of pesticides RHONE-POULENC AGROCHIMIE (FR) 1996-04-24 EP disclosed
US-4652666-A PLANT SAFENING AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
EP-0100764-B1 PROCESS FOR REMOVAL OF CARBON OXIDES FROM GAS MIXTURES MONSANTO COMPANY (US) 1986-06-04 EP disclosed
EP-0100764-A1 Process for removal of carbon oxides from gas mixtures MONSANTO COMPANY (US) 1984-02-15 EP disclosed