⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27570911 | 0.80 | — | — | |
| SCHEMBL6065687 | 0.78 | — | — | |
| SCHEMBL6065258 | 0.74 | — | — | |
| SCHEMBL6066122 | 0.67 | — | — | |
| Cyclohexylamine SCHEMBL25171882 | 0.66 | TSHR (0.31) | — | |
| SCHEMBL410986 | 0.66 | — | — | |
| SCHEMBL6065671 | 0.65 | — | — | |
| Biphenyl SCHEMBL2694111 | 0.64 | ALDH1A1 (0.38) | — | |
| Methylamine SCHEMBL3687155 | 0.63 | — | — | |
| SCHEMBL6066126 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1846423-B1 | BORATE AND NEAR-INFRARED RAY ABSORPTION MATERIAL | NIPPON CATALYTIC CHEM IND (JP) | 2010-12-08 | — | — | EP | disclosed |
| US-7405261-B2 | Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2008-07-29 | — | — | US | disclosed |
| EP-1874830-A1 | MOLDING COMPOSITION COMPRISING POLYETHYLENE FOR PREPARING FILMS AND PROCESS FOR PREPARING THE MOLDING COMPOSITION IN THE PRESENCE OF A MIXED CATALYST | Basell Polyolefine GmbH (DE) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006114209-A1 | MOLDING COMPOSITION COMPRISING POLYETHYLENE FOR PREPARING FILMS AND PROCESS FOR PREPARING THE MOLDING COMPOSITION IN THE PRESENCE OF A MIXED CATALYST | BASELL POLYOLEFINE GMBH (DE) | 2006-11-02 | — | — | WO | disclosed |
| US-20060122345-A1 | Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins | BASSELL POLYOLEFINE GMBH (DE) | 2006-06-08 | — | — | US | disclosed |