SCHEMBL2636786

SCHEMBL2636786

CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)O)C1

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
SCHEMBL13979143 1.00
SCHEMBL3827437 1.00
SCHEMBL7807707 1.00
SCHEMBL3827455 1.00
Hydrochloric Acid SCHEMBL7807610 0.99
Hydrochloric Acid SCHEMBL7080825 0.99
Hydrochloric Acid SCHEMBL7080827 0.99
SCHEMBL4589760 0.99
SCHEMBL13979122 0.88
SCHEMBL1267675 0.86 MEN1 (0.68)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2568805-B1 A MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID XVIVO PERFUSION AB (SE) 2019-05-01 EP claimed
US-20160354359-A1 COMPOSITION COMPRISING NOR-ADRENALINE AND A NET INHIBITOR FOR ADMINISTERING TO A BRAIN-DEAD, HEART-BEATING POTENTIAL ORGAN DONOR XVIVO PERFUSION AB (SE) 2016-12-08 US claimed
EP-0975595-B9 ANALOGS OF COCAINE UNIV GEORGETOWN (US) 2009-09-16 EP claimed
EP-0975595-B1 ANALOGS OF COCAINE UNIV GEORGETOWN (US) 2009-06-17 EP claimed
US-6440996-B1 Monomeric and dimeric heterocycles, and therapeutic uses thereof GEORGETOWN UNIVERSITY 2002-08-27 US claimed
EP-2568805-B1 A MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID XVIVO PERFUSION AB (SE) 2019-05-01 EP disclosed
US-10271540-B2 Medical fluid, a method of treatment and use of the fluid XVIVO PERFUSION AB (SE) 2019-04-30 US disclosed
US-20160354359-A1 COMPOSITION COMPRISING NOR-ADRENALINE AND A NET INHIBITOR FOR ADMINISTERING TO A BRAIN-DEAD, HEART-BEATING POTENTIAL ORGAN DONOR XVIVO PERFUSION AB (SE) 2016-12-08 US disclosed
US-20160338343-A1 MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID XVIVO PERFUSION AB (SE) 2016-11-24 US disclosed
EP-2568805-A1 A MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID Vivoline Medical AB (SE) 2013-03-20 EP disclosed
US-20130065218-A1 MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID VIVOLINE MEDICAL AB (SE) 2013-03-14 US disclosed
WO-2011142705-A1 A MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID VIVOLINE MEDICAL AB (SE) 2011-11-17 WO disclosed
US-20030144322-A1 Analogs of cocaine NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-31 US disclosed
US-6472422-B2 TREATING DRUG ADDICTION GEORGETOWN UNIVERSITY 2002-10-29 US disclosed
US-6440996-B1 Monomeric and dimeric heterocycles, and therapeutic uses thereof GEORGETOWN UNIVERSITY 2002-08-27 US disclosed
EP-1119553-A1 MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF GEORGETOWN UNIVERSITY (US) 2001-08-01 EP disclosed
US-6180648-B1 Analogs of cocaine BIOSTREAM THERAPEUTICS, INC. 2001-01-30 US disclosed
WO-2000020390-A1 MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF GEORGETOWN UNIVERSITY (US) 2000-04-13 WO disclosed
EP-0975595-A1 ANALOGS OF COCAINE GEORGETOWN UNIVERSITY (US) 2000-02-02 EP disclosed
WO-1998045263-A1 ANALOGS OF COCAINE GEORGETOWN UNIVERSITY (US) 1998-10-15 WO disclosed