⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14811605 | 0.91 | KCNH2 (0.41) | — | |
| SCHEMBL5601118 | 0.91 | KCNH2 (0.41) | — | |
| SCHEMBL5599700 | 0.91 | KCNH2 (0.41) | — | |
| SCHEMBL5603397 | 0.91 | KCNH2 (0.41) | — | |
| SCHEMBL5048851 | 0.67 | — | — | |
| SCHEMBL5007243 | 0.65 | — | — | |
| SCHEMBL5601359 | 0.64 | MAPK1 (0.32) | — | |
| SCHEMBL12658597 | 0.62 | — | — | |
| SCHEMBL8584189 | 0.59 | HRH3 (0.30) | — | |
| SCHEMBL4633204 | 0.57 | NPC1 (0.48) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | claimed |
| EP-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | claimed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | claimed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | claimed |
| US-7776980-B2 | Monocyclopentadienyl complexes | BASELL POLYOLEFINE GMBH (DE) | 2010-08-17 | — | — | US | disclosed |
| US-20090018292-A1 | Monocyclopentadienyl Complexes | BASELL POLYOLEFINE GMBH (DE) | 2009-01-15 | — | — | US | disclosed |
| US-20080249091-A1 | Indoles Useful in the Treatment of Inflammation | BIOLIPOX AB (SE) | 2008-10-09 | — | — | US | disclosed |
| EP-1861409-A1 | MONOCYCLOPENTADIENYL COMPLEXES | Basell Polyolefine GmbH (DE) | 2007-12-05 | — | — | EP | disclosed |
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| EP-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | disclosed |
| WO-2006100004-A1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2006-09-28 | — | — | WO | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | disclosed |
| EP-1492787-A2 | (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003087088-A2 | (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 2003-10-23 | — | — | WO | disclosed |