⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6691380 | 0.84 | — | — | |
| SCHEMBL1055705 | 0.75 | — | — | |
| SCHEMBL4080897 | 0.72 | — | — | |
| SCHEMBL30441147 | 0.70 | — | — | |
| SCHEMBL5487565 | 0.70 | — | — | |
| SCHEMBL23942057 | 0.70 | — | — | |
| SCHEMBL8065247 | 0.70 | — | — | |
| SCHEMBL30749102 | 0.70 | — | — | |
| SCHEMBL30749070 | 0.70 | — | — | |
| SCHEMBL30748840 | 0.70 | — | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060293297-A1 | Cyanofluoropyrrolidine derviative | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2006-12-28 | — | — | US | claimed |
| EP-1627870-A1 | CYANOFLUOROPYRROLIDINE DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2006-02-22 | — | — | EP | claimed |
| EP-2250157-B1 | NOVEL HETEROCYCLIC COMPOUNDS | PANACEA BIOTEC LTD (IN) | 2014-11-05 | — | — | EP | disclosed |
| US-20110026010-A1 | Optical Coherence Tomographic Analysis | WALKER DWIGHT SHEROD | 2011-02-03 | — | — | US | disclosed |
| EP-2250157-A1 | NOVEL HETEROCYCLIC COMPOUNDS | Panacea Biotec Limited (IN) | 2010-11-17 | — | — | EP | disclosed |
| EP-2178440-A1 | OPTICAL COHERENCE TOMOGRAPHIC ANALYSIS | Glaxosmithkline LLC (US) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009093269-A1 | NOVEL HETEROCYCLIC COMPOUNDS | PANACEA BIOTEC LIMITED (IN) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009021092-A1 | OPTICAL COHERENCE TOMOGRAPHIC ANALYSIS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-02-12 | — | — | WO | disclosed |
| US-7462641-B2 | (2S,4S)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-L-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-09 | — | — | US | disclosed |
| EP-1654226-B1 | (2S,4S)-4-FLUORO-1- 4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL -2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF | SMITHKLINE BEECHAM CORP (US) | 2008-10-22 | — | — | EP | disclosed |
| US-20070066677-A1 | (2S,4s)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-I-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof | SMITHKLINE BEECHAM CORPORATION | 2007-03-22 | — | — | US | disclosed |
| CN-1791575-A | Cyanofluoropyrrolidine derivative. | TAISHO PHARMACEUTICAL CO LTD (JP) | 2006-06-21 | — | — | CN | disclosed |
| CN-1791575-A | Cyanofluoropyrrolidine derivative. | TAISHO PHARMACEUTICAL CO LTD (JP) | 2006-06-21 | — | — | CN | disclosed |
| EP-1654226-A1 | (2S,4S)-4-FLUORO-1- 4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL -2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF | SmithKline Beecham Corporation (US) | 2006-05-10 | — | — | EP | disclosed |
| EP-1627870-A1 | CYANOFLUOROPYRROLIDINE DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2006-02-22 | — | — | EP | disclosed |
| EP-1627870-A1 | CYANOFLUOROPYRROLIDINE DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2006-02-22 | — | — | EP | disclosed |
| JP-2005272457-A | PHARMACEUTICAL CONTAINING CYANOPYRROLIDINE DERIVATIVE AS ACTIVE INGREDIENT | TAISHO PHARMACEUT CO LTD | 2005-10-06 | — | — | JP | disclosed |
| WO-2005009956-A1 | (2S,4S)-4-FLUORO-1-[4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL]-2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF | SMITHKLINE BEECHAM CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |
| WO-2004101514-A1 | CYANOFLUOROPYRROLIDINE DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2004-11-25 | — | — | WO | disclosed |
| WO-2004092128-A1 | ANHYDROUS CRYSTALLINE FORMS OF (2S, 4S)-1-{(2R)-2-AMINO-3-‘4-METHOXYBENZYL)SULFONYL!-3-METHYLBUTANOYL}-4-FLUOROPYRROLINDINE-2-CARBONITRILE | SMITHKLINE BEECHAM CORPORATION (US) | 2004-10-28 | — | — | WO | disclosed |