⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2399 | 0.84 | — | — | |
| Ether SCHEMBL2183780 | 0.81 | TSHR (0.33) | — | |
| Ether SCHEMBL22749507 | 0.79 | TSHR (0.38) | — | |
| Ether SCHEMBL22749528 | 0.79 | TSHR (0.38) | — | |
| Ether SCHEMBL22749963 | 0.79 | TSHR (0.38) | — | |
| Ether SCHEMBL22749525 | 0.79 | TSHR (0.38) | — | |
| Ether SCHEMBL177065 | 0.78 | — | — | |
| Ether SCHEMBL23725937 | 0.77 | — | — | |
| SCHEMBL11725250 | 0.74 | — | — | |
| Ether SCHEMBL1348224 | 0.74 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3255042-B1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | BEYONDBIO INC (KR) | 2020-12-30 | — | — | EP | disclosed |
| US-20200190062-A1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | BEYONDBIO INC. (KR) | 2020-06-18 | — | — | US | disclosed |
| US-10611754-B2 | Heterocyclic compound and pharmaceutical composition comprising same | BEYONDBIO INC. (KR) | 2020-04-07 | — | — | US | disclosed |
| US-20190135786-A1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | BEYONDBIO INC. (KR) | 2019-05-09 | — | — | US | disclosed |
| US-10227328-B2 | Heterocyclic compound and pharmaceutical composition comprising same | BEYONDBIO INC. (KR) | 2019-03-12 | — | — | US | disclosed |
| US-20180273510-A1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | BEYONDBIO INC. (KR) | 2018-09-27 | — | — | US | disclosed |
| EP-1020445-B1 | FUSED PYRIDINE DERIVATIVES | EISAI R&D MAN CO LTD (JP) | 2008-08-13 | — | — | 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 |
| 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 |