⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4793553 | 0.97 | ADH1B (0.34) | — | |
| SCHEMBL8764248 | 0.88 | — | — | |
| SCHEMBL29860701 | 0.82 | ADH1B (0.36) | — | |
| SCHEMBL12484994 | 0.79 | CA1 (0.31) | — | |
| SCHEMBL12484992 | 0.79 | CA1 (0.31) | — | |
| SCHEMBL7802322 | 0.78 | — | — | |
| SCHEMBL7698450 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL7586193 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL1691999 | 0.77 | — | — | |
| SCHEMBL10870592 | 0.76 | ADH1B (0.30) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1020445-B1 | FUSED PYRIDINE DERIVATIVES | EISAI R&D MAN CO LTD (JP) | 2008-08-13 | — | — | EP | claimed |
| US-20040204421-A1 | Certain 1,3-disubstituted isoquinoline derivatives | EISAI CO., LTD. | 2004-10-14 | — | — | US | claimed |
| US-6790844-B2 | MUSCLE RELAXANTS; ANTISEROTONINE AGENT | EISAI CO., LTD (JP) | 2004-09-14 | — | — | US | claimed |
| US-20020013460-A1 | Condensed pyridine compound | EISAI CO., LTD | 2002-01-31 | — | — | US | claimed |
| US-6340759-B1 | ANTISPASMODIC AGENTS | EISAI CO., LTD. (JP) | 2002-01-22 | — | — | US | claimed |
| EP-1020445-A1 | FUSED PYRIDINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2000-07-19 | — | — | EP | claimed |
| EP-1020445-B1 | FUSED PYRIDINE DERIVATIVES | EISAI R&D MAN CO LTD (JP) | 2008-08-13 | — | — | EP | disclosed |
| EP-1597246-A2 | INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME | PFIZER INC. (US) | 2005-11-23 | — | — | EP | disclosed |
| US-6875761-B2 | Certain 1,3-disubstituted isoquinoline derivatives | EISAI CO., LTD. (JP) | 2005-04-05 | — | — | US | disclosed |
| US-20040204421-A1 | Certain 1,3-disubstituted isoquinoline derivatives | EISAI CO., LTD. | 2004-10-14 | — | — | US | disclosed |
| US-6790844-B2 | MUSCLE RELAXANTS; ANTISEROTONINE AGENT | EISAI CO., LTD (JP) | 2004-09-14 | — | — | US | disclosed |
| WO-2004074270-A2 | INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME | PFIZER INC. (US) | 2004-09-02 | — | — | WO | disclosed |
| WO-2003095441-A1 | INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME | PFIZER INC. (US) | 2003-11-20 | — | — | WO | disclosed |
| US-20020013460-A1 | Condensed pyridine compound | EISAI CO., LTD | 2002-01-31 | — | — | US | disclosed |
| US-6340759-B1 | ANTISPASMODIC AGENTS | EISAI CO., LTD. (JP) | 2002-01-22 | — | — | US | disclosed |
| EP-1020445-A1 | FUSED PYRIDINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2000-07-19 | — | — | EP | disclosed |
| US-3880883-A | 2-(Hydroxyalkyl)-cyclopentane carbaldehydes | MAY & BAKER LTD | 1975-04-29 | — | — | US | disclosed |