⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5016694 | 0.89 | GRIN2B (0.31) | — | |
| SCHEMBL5014808 | 0.83 | — | — | |
| SCHEMBL10879791 | 0.81 | — | — | |
| SCHEMBL10882638 | 0.76 | — | — | |
| SCHEMBL28989799 | 0.74 | ADRA2A (0.36) | — | |
| SCHEMBL30232003 | 0.72 | CYP3A4 (0.38) | — | |
| SCHEMBL333922 | 0.72 | CYP3A4 (0.38) | — | |
| SCHEMBL10880428 | 0.70 | CYP3A4 (0.39) | — | |
| SCHEMBL27291641 | 0.68 | ADRA2A (0.40) | — | |
| SCHEMBL28646514 | 0.66 | KDM4E (0.41) | — |
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.
| 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 |
| EP-1660404-B1 | HYDROGEN STORAGE REVERSIBLE HYDROGENATED OF PI-CONJUGATED SUBSTRATES | AIR PROD & CHEM (US) | 2015-08-05 | — | — | EP | 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-7101530-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) | 2006-09-05 | — | — | US | 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 |
| EP-1475349-A2 | Hydrogen storage by reversible hydrogenation of pi-conjugated substrates | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2004-11-10 | — | — | EP | disclosed |
| EP-0063053-B1 | STARTING PITCHES FOR CARBON FIBERS | NIPPON OIL CO. LTD. (JP) | 1986-03-12 | — | — | EP | disclosed |
| US-4521294-A | Starting pitches for carbon fibers | NIPPON OIL CO., LTD. (JP) | 1985-06-04 | — | — | US | disclosed |
| US-4397830-A | HEAT TREATMENT OF HEAVY OIL AND HYDROGENATED HEAVY OIL | NIPPON OIL CO., LTD. (JP) | 1983-08-09 | — | — | US | disclosed |
| EP-0063053-A2 | Starting pitches for carbon fibers | NIPPON OIL CO. LTD. (JP) | 1982-10-20 | — | — | EP | disclosed |
| EP-0063052-A2 | Starting pitches for carbon fibers | NIPPON OIL CO. LTD. (JP) | 1982-10-20 | — | — | EP | disclosed |