⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7553554 | 0.74 | — | — | |
| SCHEMBL895730 | 0.71 | — | — | |
| SCHEMBL6159535 | 0.69 | — | — | |
| SCHEMBL10732423 | 0.67 | — | — | |
| SCHEMBL15955328 | 0.67 | — | — | |
| SCHEMBL537860 | 0.67 | — | — | |
| SCHEMBL7264682 | 0.67 | — | — | |
| SCHEMBL2359712 | 0.67 | — | — | |
| SCHEMBL1897285 | 0.65 | — | — | |
| SCHEMBL15467987 | 0.64 | — | — |
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-8652318-B2 | Oleophobic surface coatings | XEROX CORPORATION (US) | 2014-02-18 | — | — | US | disclosed |
| US-8642640-B2 | 1-phenylpyrrole derivatives | EXELIXIS, INC. (US) | 2014-02-04 | — | — | US | disclosed |
| EP-2349996-B1 | 1-PHENYLPYRROLE COMPOUNDS | EXELIXIS INC (US) | 2014-01-01 | — | — | EP | disclosed |
| US-20110279516-A1 | OLEOPHOBIC SURFACE COATINGS | XEROX CORPORATION (US) | 2011-11-17 | — | — | US | disclosed |
| US-20110263544-A1 | 1-Phenylpyrrole Derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-10-27 | — | — | US | disclosed |
| EP-2349996-A1 | 1-PHENYLPYRROLE COMPOUNDS | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010042626-A1 | 1-PHENYLPYRROLE COMPOUNDS | EXELIXIS, INC. (US) | 2010-04-15 | — | — | WO | disclosed |