⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5214516 | 0.79 | — | — | |
| SCHEMBL1040352 | 0.69 | — | — | |
| SCHEMBL739757 | 0.60 | — | — | |
| SCHEMBL293108 | 0.60 | — | — | |
| SCHEMBL27395 | 0.60 | — | — | |
| SCHEMBL3941998 | 0.59 | — | — | |
| SCHEMBL1539079 | 0.59 | — | — | |
| SCHEMBL8060483 | 0.56 | — | — | |
| SCHEMBL8044913 | 0.56 | — | — | |
| SCHEMBL8056733 | 0.55 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2190291-A1 | HSP90 INHIBITORS WITH MODIFIED TOXICITY | The Regents of the University of Colorado (US) | 2010-06-02 | — | — | EP | claimed |
| WO-2009026548-A1 | HSP90 INHIBITORS WITH MODIFIED TOXICITY | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2009-02-26 | — | — | WO | claimed |
| EP-1379522-A1 | DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002083665-A1 | DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-24 | — | — | WO | disclosed |
| WO-2000002903-A1 | CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME | CYTEL CORPORATION (US) | 2000-01-20 | — | — | WO | disclosed |
| EP-0737204-A4 | CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME | CYTEL CORP (US) | 1999-06-23 | — | — | EP | disclosed |
| EP-0737204-A1 | CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME | CYTEL CORPORATION (US) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995015973-A1 | CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME | CYTEL CORPORATION (US) | 1995-06-15 | — | — | WO | disclosed |