⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8322888 | 0.98 | — | — | |
| SCHEMBL28881870 | 0.80 | — | — | |
| SCHEMBL2222762 | 0.67 | — | — | |
| SCHEMBL26292 | 0.62 | — | — | |
| SCHEMBL3144339 | 0.62 | — | — | |
| SCHEMBL29080963 | 0.62 | — | — | |
| SCHEMBL8922890 | 0.62 | — | — | |
| SCHEMBL27932413 | 0.60 | — | — | |
| Alcohol SCHEMBL28160932 | 0.60 | ALDH1A1 (0.38) | — | |
| SCHEMBL8466052 | 0.59 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7851644-B2 | Heterocyclic metallocenes and polymerization catalysts | BASELL POLYOLEFINE GMBH (DE) | 2010-12-14 | — | — | US | disclosed |
| US-20090286945-A9 | Heterocyclic metallocenes and polymerization catalysts | EWEN JOHN A | 2009-11-19 | — | — | US | disclosed |
| US-20080090978-A1 | Heterocyclic metallocenes and polymerization catalysts | EWEN JOHN A | 2008-04-17 | — | — | US | disclosed |
| US-7238818-B2 | Heterocyclic metallocenes and polymerization catalysts | BASELL POLYOLEFINE GMBH (DE) | 2007-07-03 | — | — | US | disclosed |
| EP-1327636-B1 | Heterocyclic metallocenes and polymerisation catalysts | BASELL POLYOLEFINE GMBH (DE) | 2006-01-11 | — | — | EP | disclosed |
| US-20050192418-A1 | Heterocyclic metallocenes and polymerization catalysts | EQUISTAR CHEMICALS, LP | 2005-09-01 | — | — | US | disclosed |
| EP-1327636-A2 | Heterocyclic metallocenes and polymerisation catalysts | Basell Polyolefine GmbH (DE) | 2003-07-16 | — | — | EP | disclosed |
| EP-0938491-B1 | HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS | BASELL POLYOLEFINE GMBH (DE) | 2003-05-07 | — | — | EP | disclosed |
| EP-0938491-A1 | HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS | Montell Technology Company B.V. (NL) | 1999-09-01 | — | — | EP | disclosed |
| WO-1998022486-A1 | HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS | MONTELL TECHNOLOGY COMPANY B.V. (NL) | 1998-05-28 | — | — | WO | disclosed |