⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17585991 | 1.00 | — | — | |
| SCHEMBL4154670 | 1.00 | — | — | |
| SCHEMBL4105554 | 0.94 | — | — | |
| SCHEMBL2225753 | 0.94 | — | — | |
| SCHEMBL2225759 | 0.94 | — | — | |
| SCHEMBL5583266 | 0.92 | ALDH1A1 (0.41) | — | |
| SCHEMBL4299474 | 0.92 | ALDH1A1 (0.41) | — | |
| SCHEMBL5241106 | 0.92 | ALDH1A1 (0.41) | — | |
| SCHEMBL2945718 | 0.92 | ALDH1A1 (0.41) | — | |
| SCHEMBL1843218 | 0.92 | ALDH1A1 (0.41) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7622494-B2 | Chemical compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2009-11-24 | — | — | US | disclosed |
| US-20090170923-A1 | HCV INHIBITORS | SMITHKLINE BEECHAM CORPORATION | 2009-07-02 | — | — | US | disclosed |
| EP-1658068-B1 | NOVEL CYCLOALKYL[B] CONDENSED INDOLES | SMITHKLINE BEECHAM CORP (US) | 2009-02-18 | — | — | EP | disclosed |
| EP-1817026-A2 | HCV INHIBITORS | SmithKline Beecham Corporation (US) | 2007-08-15 | — | — | EP | disclosed |
| US-20060281804-A1 | Novel cycloalkyl'b! condensed indoles | SMITHKLINE BEECHAM CORPORATION | 2006-12-14 | — | — | US | disclosed |
| WO-2006121466-A2 | HCV INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-11-16 | — | — | WO | disclosed |
| EP-1658068-A1 | NOVEL CYCLOALKYL'B! CONDENSED INDOLES | SMITHKLINE BEECHAM CORPORATION (US) | 2006-05-24 | — | — | EP | disclosed |
| WO-2005023245-A1 | NOVEL CYCLOALKYL’B! CONDENSED INDOLES | SMITHKLINE BEECHAM CORPORATION (US) | 2005-03-17 | — | — | WO | disclosed |
| EP-0799617-A2 | Therapeutic agent for neurological diseases | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-08 | — | — | EP | disclosed |
| US-4959368-A | PYRIMIDINE DERIVATIVES | MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) | 1990-09-25 | — | — | US | disclosed |
| EP-0257102-A1 | AGENTS FOR TREATING NEUROPHATHY | Mitsui Chemicals, Inc. (JP) | 1988-03-02 | — | — | EP | disclosed |