SCHEMBL289691

SCHEMBL289691

Cl/C1=C/CC/C=C\CC1.[Ir]

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
SCHEMBL2050871 1.00
SCHEMBL289692 1.00
SCHEMBL895275 0.97
SCHEMBL186897 0.97
SCHEMBL1771875 0.94
SCHEMBL1771877 0.94
SCHEMBL3619266 0.94
SCHEMBL3265617 0.94
SCHEMBL31154658 0.94
SCHEMBL31252519 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11389464-B2 Arginase inhibitors as therapeutics MARS, INCORPORATED (US) 2022-07-19 US disclosed
US-11186802-B2 Process for the decarboxylation, isomerization, hydrogenation, dehydrogenation and cyclization aromatization of fatty acids yielding products with significant aromatic content THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2021-11-30 US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 US disclosed
EP-2852598-B1 RING CONSTRAINED ANALOGS AS ARGINASE INHIBITORS MARS INC (US) 2016-05-11 EP disclosed
CN-104876955-A Inhibitors Of Arginase And Their Therapeutic Applications MARS INC 2015-09-02 CN disclosed
CN-104540836-A Ring constrained analogs as arginase inhibitors MARS INC 2015-04-22 CN disclosed
EP-2852598-A1 RING CONSTRAINED ANALOGS AS ARGINASE INHIBITORS Mars, Incorporated (US) 2015-04-01 EP disclosed
WO-2013158262-A1 RING CONSTRAINED ANALOGS AS ARGINASE INHIBITORS MARS, INCORPORATED (US) 2013-10-24 WO disclosed
EP-2205083-B1 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
CN-103068830-A Arginase inhibitors and therapeutic uses thereof MARS INC 2013-04-24 CN disclosed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
EP-1917221-B1 SURFACE MODIFIED INORGANIC MATERIAL AND PRODUCING METHOD THEREOF UNIV YONSEI IACF (KR) 2012-03-21 EP disclosed
EP-2427465-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
US-7947425-B2 Fluorinated vinyl ethers, copolymers thereof, and use in lithographic photoresist compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-05-24 US disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US disclosed
WO-2010048138-A1 SYNTHESIS OF INTERMEDIATES USEFUL FOR THE PRODUCTION OF CERTAIN CGRP INHIBITORS AND INTERMEDIATES USED IN SUCH SYNTHESIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-29 WO disclosed
CN-101528699-A Heterocyclic cetp inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-09-09 CN disclosed
US-20060275701-A1 Fluorinated vinyl ethers, copolymers thereof, and use in lithographic photoresist compositions INTERNATIONAL BUSINESS MACHINES (US) 2006-12-07 US disclosed