Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3887787 | 0.91 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL4481319 | 0.64 | ALDH1A1 (0.44) | — | |
| 2,2,3-Trimethylbutane SCHEMBL122284 | 0.64 | — | — | |
| SCHEMBL2556161 | 0.61 | — | — | |
| Lithium Ion SCHEMBL27674136 | 0.61 | — | — | |
| Lithium Ion SCHEMBL7451883 | 0.61 | — | — | |
| SCHEMBL9130423 | 0.60 | — | — | |
| SCHEMBL582319 | 0.60 | — | — | |
| SCHEMBL20618378 | 0.60 | ALDH1A1 (0.50) | — | |
| 2,2,3-Trimethylbutane SCHEMBL1788862 | 0.60 | — | — |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6844080-B2 | Metal alkyl borphydride polymerisation initiators, polymerisable compositions, and uses thereof | LOCTITE (R&D) LIMITED (IE) | 2005-01-18 | — | — | US | claimed |
| US-20040097673-A1 | Metal alkyl borphydride polymerisation initiators, polymerisable compositions, and uses thereof | HENKEL AG & CO. KGAA (DE) | 2004-05-20 | — | — | US | claimed |
| EP-1201722-A1 | Polymerisation initiators, polymerisable compositions, and uses thereof | Loctite (R & D) Limited (IE) | 2002-05-02 | — | — | EP | claimed |
| WO-2002034852-A1 | METAL ALKYL BOROHYDRIDE POLYMERISATION INITIATORS, POLYMERISABLE COMPOSITIONS, AND USES THEREOF | LOCTITE (R & D) LIMITED (IE) | 2002-05-02 | — | — | WO | claimed |
| US-8202932-B2 | Alkylated borohydride or tetraalkyl borane metal or ammonium salt and a polymerizable (meth)acrylated siloxane, low energy bonding surface, for example, the polyolefins, polyethylene, and polypropylene | LOCTITE (R&D) LIMITED (IE) | 2012-06-19 | — | — | US | disclosed |
| US-8158735-B2 | Adhesive bonding system having adherence to low energy surfaces | LOCTITE (R&D) LIMITED (IE) | 2012-04-17 | — | — | US | disclosed |
| US-20100178520-A1 | ADHESIVE BONDING SYSTEM HAVING ADHERENCE TO LOW ENERGY SURFACES | LOCTITE (R&D) LIMITED (IE) | 2010-07-15 | — | — | US | disclosed |
| US-7572303-B2 | A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability | OCTANE INTERNATIONAL, LTD. (US) | 2009-08-11 | — | — | US | disclosed |
| US-20080241637-A1 | Polymerizable Compositions for Bonding and Sealing Low Surface Energy Substrates for Fuel Cells | BURDZY MATTHEW P | 2008-10-02 | — | — | US | disclosed |
| US-7408012-B1 | Adhesive bonding systems having adherence to low energy surfaces | LOCTITE (R&D) LIMITED (IE) | 2008-08-05 | — | — | US | disclosed |
| EP-1714341-A4 | POLYMERIZABLE COMPOSITIONS FOR BONDING AND SEALING LOW SURFACE ENERGY SUBSTRATES FOR FUEL CELLS | HENKEL CORP (US) | 2007-08-01 | — | — | EP | disclosed |
| US-20070135601-A1 | Initiator systems for polymerisable compositions | HUNTSMAN ADVANCED MATERIALS AMERICAS INC. (US) | 2007-06-14 | — | — | US | disclosed |
| EP-0931047-A1 | INTERMEDIATES FOR THE SYNTHESIS OF VITAMIN D AND STEROID DERIVATIVES AND PROCESSES FOR PREPARATION THEREOF | The Trustees of Columbia University in the City of New York (US) | 1999-07-28 | — | — | EP | disclosed |
| EP-0931047-A4 | — | — | 1999-07-28 | — | — | EP | disclosed |
| WO-1998026028-A1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR WILLIAM C (US) | 1998-06-18 | — | — | WO | disclosed |
| WO-1998009935-A1 | INTERMEDIATES FOR THE SYNTHESIS OF VITAMIN D AND STEROID DERIVATIVES AND PROCESSES FOR PREPARATION THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1998-03-12 | — | — | WO | disclosed |
| US-5693847-A | Heteroatom functionalized α-methyl ketones | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-12-02 | — | — | US | disclosed |
| WO-1996026207-A1 | THIAZOLIDINE AND OXAZOLIDINE INDOLES WITH HYPOCLYCEMIC ACTIVITY | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1996-08-29 | — | — | WO | disclosed |
| US-5233115-A | Using nickel halide, phosphine, carboxylate compound followed by contact with alkali metal borohydride | PHILLIPS PETROLEUM COMPANY (US) | 1993-08-03 | — | — | US | disclosed |
| US-5227562-A | Selectively to butene/1-/ with cobalt catalyst and an organoborohydride | PHILLIPS PETROLEUM COMPANY (US) | 1993-07-13 | — | — | US | disclosed |