⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL466675 | 0.97 | PAOX (0.56) | — | |
| SCHEMBL18807954 | 0.97 | PAOX (0.56) | — | |
| SCHEMBL29335063 | 0.97 | PAOX (0.56) | — | |
| SCHEMBL466558 | 0.97 | PAOX (0.56) | — | |
| SCHEMBL22561808 | 0.97 | PAOX (0.56) | — | |
| SCHEMBL23030369 | 0.97 | PAOX (0.56) | — | |
| SCHEMBL466758 | 0.97 | PAOX (0.56) | — | |
| SCHEMBL466947 | 0.97 | PAOX (0.56) | — | |
| SCHEMBL466719 | 0.97 | — | — | |
| SCHEMBL18807819 | 0.97 | PAOX (0.56) | — |
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-20160095858-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-04-07 | — | — | US | disclosed |
| US-8877857-B2 | Polar group-containing copolymer, rubber composition and studless tire | SUMITOMO RUBBER INDUSTRIES, LTD. (JP) | 2014-11-04 | — | — | US | disclosed |
| EP-2404944-B1 | POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE | SUMITOMO RUBBER IND (JP) | 2014-05-14 | — | — | EP | disclosed |
| CN-102365306-B | Polar group-containing copolymer, rubber composition and studless tire | SUMITOMO RUBBER IND | 2014-04-02 | — | — | CN | disclosed |
| US-20120329968-A1 | METHOD FOR PRODUCING 18F-LABELED COMPOUND AND HIGH MOLECULAR COMPOUND TO BE USED IN THE METHOD | NIIGATA UNIVERSITY (JP) | 2012-12-27 | — | — | US | disclosed |
| US-20120095153-A1 | POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE | SUMITOMO RUBBER INDUSTRIES, LTD. (JP) | 2012-04-19 | — | — | US | disclosed |
| CN-102365306-A | Polar group-containing copolymer, rubber composition and studless tire | SUMITOMO RUBBER IND | 2012-02-29 | — | — | CN | disclosed |
| EP-2404944-A1 | POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE | Sumitomo Rubber Industries, Ltd. (JP) | 2012-01-11 | — | — | EP | disclosed |
| US-20100004328-A1 | COMPOUND, Alpha1 ADRENERGIC RECEPTOR ANTAGONISTIC AGENT, AND COMPOSITION | SUNTORY HOLDING LIMITED (JP) | 2010-01-07 | — | — | US | disclosed |
| US-20090306335-A1 | MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES | NATIONAL SCIENCE FOUNDATION | 2009-12-10 | — | — | US | disclosed |