SCHEMBL7749464

SCHEMBL7749464

CCN(CC)CC.Cl[Ti](Cl)(Cl)Cl

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
Chloromethane SCHEMBL6905936 0.82
SCHEMBL1736341 0.82 ALDH1A1 (0.40)
SCHEMBL30 0.82
SCHEMBL124190 0.82
SCHEMBL7460196 0.78
Methylene Chloride SCHEMBL187626 0.78 ALDH1A1 (0.36)
Chlorolithium SCHEMBL9474737 0.78
SCHEMBL7628923 0.78
SCHEMBL9694495 0.78
Hypochlorous Acid SCHEMBL1019174 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892774-A4 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO ANADYS PHARMACEUTICALS INC (US) 2001-10-04 EP claimed
US-6090953-A PREPARING A MYXOPYRONIN SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-07-18 US claimed
EP-0892774-A2 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-01-27 EP claimed
WO-1997034569-A2 PYRONIN ANTIBACTERIALS, PROCESS AND INTERMEDIATES SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-25 WO claimed
CN-105111103-B The preparation method of salicylonitrile and its derivative 重庆紫光化工股份有限公司 2018-04-24 CN disclosed
CN-105111103-A Method for preparing cyanophenol and derivative thereof CHONGQING UNISPLENDOUR CHEM CO 2015-12-02 CN disclosed
EP-0892774-A4 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO ANADYS PHARMACEUTICALS INC (US) 2001-10-04 EP disclosed
US-6239291-B1 Pyronin antibacterials, process and novel intermediates thereto SCRIPTGEN PHARMACEUTICALS, INC. 2001-05-29 US disclosed
US-6228882-B1 MYXOPYRONINS AND CORALLOPYRONINS; RNA POLYMERASE INHIBITORS; SAPONIFICATION, ACIDIFICATION, AZIDING, ACYLATION ANADYS PHARMACEUTICALS, INC. 2001-05-08 US disclosed
US-6191288-B1 Pyronin antibacterials, process and novel intermediates thereto ANADYS PHARMACEUTICALS, INC. 2001-02-20 US disclosed
US-6184393-B1 MYXOPYRONINS AND CORALLOPYRONINS AS FURAN AND PYRAN- AND SMALL LACTONE-ANTIBIOTICS; INHIBITORS OF RNA POLYMERASE (RNAP) HAVING SELECTIVITY FOR HUMAN RNAP, CELL PENETRATION AND POTENCY AGAINST RIFAMPICIN-RESISTANT STAPH. AUREUS TRUSTEES OF BOSTON UNIVERSITY 2001-02-06 US disclosed
EP-1043990-A1 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO Scriptgen Pharmaceuticals, Inc. (US) 2000-10-18 EP disclosed
US-6127551-A 4-HYDROXY-6-ETHYOXYCARBONYLALKENYL-2H-PYRAN-2-ONE IS ACYLATED WITH PROPIONYL CHLORIDE TO FORM A KETONE ADDUCT, FOLLOWED BY BASE-CATALYZED ALDOL TO FROM A PYRONE ALDOL; MESYLATION, FORM A PYRONE KETONE; AND CURTIUS SEQUENCE TO FORM MYXOPYRONIN SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-10-03 US disclosed
US-6090953-A PREPARING A MYXOPYRONIN SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-07-18 US disclosed
US-6022983-A PREPARING A MYXOPYRONIN SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
US-5986111-A CONDENSATION OF ALDEHYDE WITH PYRONE TO FORM ADDUCT, OXIDATION AND SAPONIFICATION SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
WO-1999034793-A1 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-07-15 WO disclosed
EP-0892774-A2 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-01-27 EP disclosed
WO-1997034569-A2 PYRONIN ANTIBACTERIALS, PROCESS AND INTERMEDIATES SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-25 WO disclosed