⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL2959797 | 1.00 | — | — | |
| Ethane SCHEMBL2150938 | 1.00 | — | — | |
| Ethane SCHEMBL9007730 | 0.87 | — | — | |
| Ethane SCHEMBL11041445 | 0.87 | — | — | |
| Ethane SCHEMBL939219 | 0.87 | — | — | |
| Ethane SCHEMBL119366 | 0.82 | — | — | |
| Ethane SCHEMBL45 | 0.82 | — | — | |
| Ethane SCHEMBL11324909 | 0.82 | — | — | |
| Ethane SCHEMBL11665218 | 0.82 | — | — | |
| Ethane SCHEMBL11057121 | 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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2960204-A1 | HYDROGEN STORAGE BY REVERSIBLE HYDROGENATION OF PI-CONJUGATED SUBSTRATES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-12-30 | — | — | EP | disclosed |
| CN-101341162-A | Process for the production of halide metallocene compounds | BASELL POLYOLEFINE GMBH (DE) | 2009-01-07 | — | — | CN | disclosed |
| US-7429372-B2 | catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2008-09-30 | — | — | US | disclosed |
| US-7351395-B1 | Catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2008-04-01 | — | — | US | disclosed |
| US-7148144-B1 | Method of forming copper sulfide layer over substrate | SPANSION LLC (US) | 2006-12-12 | — | — | US | disclosed |
| EP-1660404-A2 | HYDROGEN STORAGE REVERSIBLE HYDROGENATED OF PI-CONJUGATED SUBSTRATES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2006-05-31 | — | — | EP | disclosed |
| US-20050002857-A1 | catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells | ENERGY, UNITED STATES DEPARTMENT OF | 2005-01-06 | — | — | US | disclosed |
| WO-2005000457-A2 | HYDROGEN STORAGE REVERSIBLE HYDROGENATED OF PI-CONJUGATED SUBSTRATES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2005-01-06 | — | — | WO | disclosed |
| US-H2030-H1 | Process for the preparation of random copolymers of conjugated dienes and vinyl aromatic compounds | SHELL OIL COMPANY | 2002-06-04 | — | — | US | disclosed |
| CN-1056149-C | Process for preparation of bridged metallocents | MONTELL TECHNOLOGY COMPANY BV (NL) | 2000-09-06 | — | — | CN | disclosed |
| EP-0413403-B1 | Process for the preparation of copolymers of conjugated dienes and vinyl aromatic compounds | SHELL INT RESEARCH (NL) | 1999-07-07 | — | — | EP | disclosed |
| CN-1143083-A | Process for preparation of bridged metallocents | MONTELL TECHNOLOGY COMPANY BV (NL) | 1997-02-19 | — | — | CN | disclosed |
| US-5488122-A | Alkyl substituted metal alkylalkoxyhydroborate reducing agents, and processes for production and use of the same | COMPLEX CHEMICALS, CORP. (US) | 1996-01-30 | — | — | US | disclosed |
| EP-0313164-B1 | ELASTOMERIC COMPOSITIONS, PROCESS FOR THE PREPARATION THEREOF AND TYRES CONTAINING THEM | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-07-07 | — | — | EP | disclosed |
| US-5064905-A | Vinylaromatic-Conjugated Diene Copolymer Blend | SHELL OIL COMPANY (US) | 1991-11-12 | — | — | US | disclosed |
| US-5036138-A | Blend of butadiene-styrene copolymer and/or polybutadiene | SHELL OIL COMPANY (US) | 1991-07-30 | — | — | US | disclosed |
| EP-0413403-A1 | Process for the preparation of copolymers of conjugated dienes and vinyl aromatic compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-02-20 | — | — | EP | disclosed |
| EP-0313164-A2 | Elastomeric compositions, process for the preparation thereof and tyres containing them | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-04-26 | — | — | EP | disclosed |
| US-4121031-A | BUTADIENE, STYRENE, ALKYLLITHIUM CATALYST, HYDROCARBON SOLVENT, SLURRYING | MINEKAWA SABURO | 1978-10-17 | — | — | US | disclosed |