⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7609367 | 0.78 | — | — | |
| SCHEMBL21799413 | 0.76 | — | — | |
| SCHEMBL8005394 | 0.76 | — | — | |
| SCHEMBL4795798 | 0.76 | TP53 (0.38) | — | |
| SCHEMBL371414 | 0.72 | GSR (0.33) | — | |
| SCHEMBL11251472 | 0.70 | TP53 (0.34) | — | |
| SCHEMBL5560354 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9985784 | 0.67 | TP53 (0.50) | — | |
| SCHEMBL8500628 | 0.67 | — | — | |
| SCHEMBL5897323 | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1192015-C | Cell adhesion inhibitors | BIOGEN INC (US) | 2005-03-09 | — | — | CN | claimed |
| CN-1177343-A | Cell adhesion inhibitors | BIOGEN INC (US) | 1998-03-25 | — | — | CN | claimed |
| CN-101384532-B | method for producing optically active alcohol | KOTOBUKI PHARMACEUTICAL CO LTD | 2013-01-02 | — | — | CN | disclosed |
| US-20090029989-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES | ADAMS JERRY LEROY | 2009-01-29 | — | — | US | disclosed |
| EP-1432714-B1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2008-08-06 | — | — | EP | disclosed |
| US-20070293489-A1 | Substituted Pyrazolopyrimidines | ADAMS JERRY | 2007-12-20 | — | — | US | disclosed |
| US-7217710-B2 | Substituted pyrazolopyrimidines | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-15 | — | — | US | disclosed |
| CN-1747953-A | Aryl / hetaryl substituted imidazoquinolines. | 3M INNOVATIVE PROPERTIES CO (US) | 2006-03-15 | — | — | CN | disclosed |
| EP-1432714-A4 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2005-10-19 | — | — | EP | disclosed |
| CN-1192015-C | Cell adhesion inhibitors | BIOGEN INC (US) | 2005-03-09 | — | — | CN | disclosed |
| US-20040198751-A1 | Pyrazolo-pyrimidine compound; anticancer agents | SMITHKLINE BEECHAM CORPORATION | 2004-10-07 | — | — | US | disclosed |
| EP-1432714-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003029209-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-04-10 | — | — | WO | disclosed |
| CN-1177343-A | Cell adhesion inhibitors | BIOGEN INC (US) | 1998-03-25 | — | — | CN | disclosed |