⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13715418 | 0.84 | — | — | |
| SCHEMBL16705461 | 0.84 | — | — | |
| SCHEMBL10940032 | 0.79 | — | — | |
| SCHEMBL14764023 | 0.78 | — | — | |
| SCHEMBL2386043 | 0.78 | — | — | |
| SCHEMBL7882754 | 0.78 | — | — | |
| SCHEMBL5557989 | 0.78 | — | — | |
| SCHEMBL9401170 | 0.78 | — | — | |
| SCHEMBL12264068 | 0.78 | — | — | |
| SCHEMBL1988036 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160083531-A1 | FUNCTIONALIZED DIENE RUBBERS | ARLANXEO DEUTSCHLAND GMBH (DE) | 2016-03-24 | — | — | US | claimed |
| US-20160083531-A1 | FUNCTIONALIZED DIENE RUBBERS | ARLANXEO DEUTSCHLAND GMBH (DE) | 2016-03-24 | — | — | US | disclosed |
| US-20110282001-A1 | FUNCTIONALIZED DIENE RUBBERS | LANXESS DEUTSCHLAND GMBH (DE) | 2011-11-17 | — | — | US | disclosed |
| EP-2337802-A1 | FUNCTIONALIZED DIENE RUBBERS | LANXESS Deutschland GmbH (DE) | 2011-06-29 | — | — | EP | disclosed |
| WO-2010043664-A1 | FUNCTIONALIZED DIENE RUBBERS | LANXESS DEUTSCHLAND GMBH (DE) | 2010-04-22 | — | — | WO | disclosed |