SCHEMBL8648201

SCHEMBL8648201

C=C(C)COC(=O)CBr

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
SCHEMBL8150488 0.80
SCHEMBL6829993 0.80 MGAM (0.48)
SCHEMBL3503171 0.78
SCHEMBL1332051 0.78
SCHEMBL6638603 0.78
SCHEMBL4673728 0.78
SCHEMBL9199157 0.78
SCHEMBL11167447 0.76
SCHEMBL10390619 0.76
SCHEMBL17169822 0.76 PAM (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 US disclosed
WO-2015163952-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2015-10-29 WO disclosed
EP-0679652-B1 Process for preparing carbapenem compounds SUMITOMO PHARMA (JP) 1998-08-19 EP disclosed
US-5578722-A Process for preparing carbapenem compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-11-26 US disclosed
EP-0679652-A1 Process for preparing carbapenem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-11-02 EP disclosed
EP-0419676-B1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LTD (JP) 1994-12-07 EP disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP disclosed
US-3970678-A Organotin mercaptide process CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-07-20 US disclosed