⚠ 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 | |
|---|---|---|---|---|
| Methylene Chloride SCHEMBL458175 | 1.00 | THRB (0.35) | — | |
| Methylene Chloride SCHEMBL4067496 | 1.00 | THRB (0.35) | — | |
| Methylene Chloride SCHEMBL8850904 | 1.00 | THRB (0.35) | — | |
| Methylene Chloride SCHEMBL1594598 | 1.00 | THRB (0.35) | — | |
| Methylene Chloride SCHEMBL9277901 | 1.00 | THRB (0.35) | — | |
| Methylene Chloride SCHEMBL7574527 | 1.00 | THRB (0.35) | — | |
| Methylene Chloride SCHEMBL6391133 | 1.00 | THRB (0.35) | — | |
| Methylene Chloride SCHEMBL9835580 | 1.00 | THRB (0.35) | — | |
| Methylene Chloride SCHEMBL17451199 | 1.00 | THRB (0.35) | — | |
| Methylene Chloride SCHEMBL9275227 | 1.00 | THRB (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170334899-A1 | AMINO-SUBSTITUTED ISOTHIAZOLES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | US | disclosed |
| US-20170217946-A1 | AMINO-SUBSTITUTED ISOXAZOLES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-08-03 | — | — | US | disclosed |
| EP-2980088-A1 | Amino-substituted isothiazoles | Bayer Pharma Aktiengesellschaft (DE) | 2016-02-03 | — | — | EP | disclosed |
| EP-2977375-A1 | Amino-substituted isoxazoles | Bayer Pharma Aktiengesellschaft (DE) | 2016-01-27 | — | — | EP | disclosed |
| US-20140155401-A1 | NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-06-05 | — | — | US | disclosed |
| US-8653109-B2 | Substituted bipyridine derivatives and their use as adenosine receptor ligands | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-02-18 | — | — | US | disclosed |
| US-20100093728-A1 | NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-15 | — | — | US | disclosed |